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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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