2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[3-(methylthio)phenyl]acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC(=CC=C3)SC

InChI

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