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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)C)NC=NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)C)NC=NC3=O

InChI

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