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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-[2-(phenylthio)phenyl]acetamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3S/c1-24-13-22-19-18(24)20(28)26(21(29)25(19)2)12-17(27)23-15-10-6-7-11-16(15)30-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,23,27)