N-methyl-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-methyl-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-methyl-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-methyl-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]-N-phenylacetamide IUPAC Name: N-methyl-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]-N-methyl-N-phenyl-acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)N(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)N(C)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-14-8-10-16(11-9-14)26-19-18(20(28)23-13-22-19)24-21(26)29-12-17(27)25(2)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,22,23,28)