2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]-N-(m-tolyl)acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H17N5O3S/c1-9-5-4-6-10(7-9)17-11(22)8-25-15-18-12-13(19-15)20(2)16(24)21(3)14(12)23/h4-7H,8H2,1-3H3,(H,17,22)(H,18,19)