1,3-dimethyl-7-[[4-oxidanylidene-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)quinazolin-5-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[4-oxidanylidene-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)quinazolin-5-yl]methyl]purine-2,6-dione Openeye Name: 7-[(3-benzoyl-2-benzylsulfanyl-4-oxo-quinazolin-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[3-benzoyl-4-oxo-2-(phenylmethylthio)-5-quinazolinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-benzoyl-2-benzylsulfanyl-4-oxoquinazolin-5-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[3-benzoyl-2-(benzylthio)-4-keto-quinazolin-5-yl]methyl]-1,3-dimethyl-xanthine Formula: C30H24N6O4S MolecularWeight: 564.61436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C4C(=CC=C3)N=C(N(C4=O)C(=O)C5=CC=CC=C5)SCC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C4C(=CC=C3)N=C(N(C4=O)C(=O)C5=CC=CC=C5)SCC6=CC=CC=C6

InChI

InChI=1S/C30H24N6O4S/c1-33-25-24(28(39)34(2)30(33)40)35(18-31-25)16-21-14-9-15-22-23(21)27(38)36(26(37)20-12-7-4-8-13-20)29(32-22)41-17-19-10-5-3-6-11-19/h3-15,18H,16-17H2,1-2H3