313667 <common-name>7-[2-[1-(3-hydroxyphenyl)propan-2-ylamino]ethyl]-1,3-dimethylpurine-2,6-dione</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3046571</pubchem-id> <chemical-formula>C18H23N5O3</chemical-formula> <weight>357.4</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">2026-08-29T10:31:16Z</created-at> <updated-at type="dateTime">2026-08-29T10:31:16Z</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>CC(CC1=CC(=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C</moldb-smiles> <moldb-formula>C18H23N5O3</moldb-formula> <moldb-inchi>InChI=1S/C18H23N5O3/c1-12(9-13-5-4-6-14(24)10-13)19-7-8-23-11-20-16-15(23)17(25)22(3)18(26)21(16)2/h4-6,10-12,19,24H,7-9H2,1-3H3</moldb-inchi> <moldb-inchikey>NNCQPJPKQSALKT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">357.1800896</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</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>CHEM309560</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-[1-(3-hydroxyphenyl)propan-2-ylamino]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>CED0264570</sync-id> <structure-inchikey>NNCQPJPKQSALKT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000400000004001800000000000000000000000000000000000000000000000001000000020000000000000002400008000000000000000000000000080000000000000080200000000000000000020001000000000000000000040000010020000010000000000000000100000000080000900000000000000000000048001000040200040800000000000004080000000000010000000000000200020000000100000000000000001080000000000000088090000000000000000000000000000000000002000000000000000000000008000000080000220000000000000000000000000000040000000000000000000000800000200000020000000</structure-fingerprint> <structure-pattern-fingerprint>503440000112864481000b6481682001001014028115200000376840822009cc443220511b8000000108411804e00010046002a4508c32010026e43100a1c000c7110c0812d056004090104000720200080405f151215b32400405625022d9040c2805270048a20160418410dd940001208680708101c0041118286002510002146c00084ef88208080602708e2c0008391e88924440168a1420192020c000a480c310121092c00012000968417c25100ac00002a941084018a062102cc00213a10010a40490073341811600545102c00d410000030050200d0002040a01030091104910088d020000400413d9922080081100309046042e0100100072000002</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">2026-09-19T05:20:18Z</structure-indexed-at> </compound>