2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-methylsulfonylphenyl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-(4-methylsulfonylphenyl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-(4-methylsulfonylphenyl)acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methylsulfonylphenyl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-(4-mesylphenyl)acetamide Formula: C16H17N5O5S MolecularWeight: 391.40168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C16H17N5O5S/c1-19-9-17-14-13(19)15(23)21(16(24)20(14)2)8-12(22)18-10-4-6-11(7-5-10)27(3,25)26/h4-7,9H,8H2,1-3H3,(H,18,22)