312084 <common-name>7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione</common-name> <description>7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione is a chemical compound with the formula C18H19ClN4O2S. It has an average molecular weight of 390.90 g/mol.</description> <cas>476479-92-2</cas> <pubchem-id>1081299</pubchem-id> <chemical-formula>C18H19ClN4O2S</chemical-formula> <weight>390.9</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">2026-08-29T08:24:19Z</created-at> <updated-at type="dateTime">2026-08-29T08:24:19Z</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(=C)CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C</moldb-smiles> <moldb-formula>C18H19ClN4O2S</moldb-formula> <moldb-inchi>InChI=1S/C18H19ClN4O2S/c1-11(2)10-26-17-20-15-14(16(24)22(4)18(25)21(15)3)23(17)9-12-5-7-13(19)8-6-12/h5-8H,1,9-10H2,2-4H3</moldb-inchi> <moldb-inchikey>VXQIWAGDPJQVEW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">390.0917247</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.9</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>CHEM307977</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-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-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>CED0263025</sync-id> <structure-inchikey>VXQIWAGDPJQVEW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000800000000800000000000000000000000080000000100000000000000220000104000000002080008000000000000000000000000480000000000000480000000000000000000020000000000000000000000010000010000000210080000000000000000000000000000100000000002400000000428000000040020000000000000000004000000000000000000000000000200000000000100000000000000240080000000000000080000000000000000000000000000000000000000000000000000100000010008000000000000220040000000000000000000001000041000000000000000000010000000000000000000000</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�B��������� �� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:05Z</structure-indexed-at> </compound>