329031 <common-name>7-[2-[[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-propoxyphosphoryl]amino]ethyl]-1,3-dimethylpurine-2,6-dione</common-name> <description>7-[2-[[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-propoxyphosphoryl]amino]ethyl]-1,3-dimethylpurine-2,6-dione has the chemical formula C21H31N10O6P. With an average molecular weight of 550.50 g/mol, 7-[2-[[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-propoxyphosphoryl]amino]ethyl]-1,3-dimethylpurine-2,6-dione is a heavy molecule.</description> <cas>70299-77-3</cas> <pubchem-id>3053697</pubchem-id> <chemical-formula>C21H31N10O6P</chemical-formula> <weight>550.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T09:07:36Z</created-at> <updated-at type="dateTime">2026-08-30T09:07:36Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCOP(=O)(NCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)NCCN3C=NC4=C3C(=O)N(C(=O)N4C)C</moldb-smiles> <moldb-formula>C21H31N10O6P</moldb-formula> <moldb-inchi>InChI=1S/C21H31N10O6P/c1-6-11-37-38(36,24-7-9-30-12-22-16-14(30)18(32)28(4)20(34)26(16)2)25-8-10-31-13-23-17-15(31)19(33)29(5)21(35)27(17)3/h12-13H,6-11H2,1-5H3,(H2,24,25,36)</moldb-inchi> <moldb-inchikey>YAZAHTCJPMQZLA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">550.2165657</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM324924</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>7-[2-[[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-propoxyphosphoryl]amino]ethyl]-1,3-dimethylpurine-2,6-dione</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Imidazopyrimidines</klass> <subklass>Purines and purine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0279603</sync-id> <structure-inchikey>YAZAHTCJPMQZLA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000400000000000800000000000000000000000000080000000000000000000000002000020000000000000002000008000000000000000000002000080000800000000080200000040000000008020001000000100000000000000000010000020000000000000000002000000000000000900000000000000000000008000000040000000000000000000004080000000000010000000000000200020000001100000000000000001080000000000000088090000000000000000000000000000000000000000000000000000000000008000090000000000000000000000000000000008000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������&���)���€���`�������`�������`������� ������ ������(�������`�������`�������`������@(������@h�������@(������@(������@(������@(�������(������@(������@(�������(������@(�������`�������`�������`�������`�������`������@(������@h�������@(������@(������@(������@(�������(������@(������@(�������(������@(�������`�������`�������������������������������� � h� �h���h�� h� �h���(���h���h���(���h���������������������h���h���h���h���h���(�� h� !h�!"(�!#h�#$� %� h���h���h�#�h�B����� �������� �������� !#������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:57Z</structure-indexed-at> </compound>