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

Systemtic Name: 2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]-N-phenylacetamide IUPAC Name: 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-phenyl-acetamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H17N5O2S/c1-13-7-9-15(10-8-13)25-18-17(19(27)22-12-21-18)24-20(25)28-11-16(26)23-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,23,26)(H,21,22,27)