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

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

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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=C3SC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3S/c1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)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)