2-[(7-methyl-6-oxidanylidene-3H-purin-2-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[(7-methyl-6-oxidanylidene-3H-purin-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(7-methyl-6-oxo-3H-purin-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(7-methyl-6-oxo-3H-purin-2-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(7-methyl-6-oxo-3H-purin-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(6-keto-7-methyl-3H-purin-2-yl)thio]-N-phenyl-acetamide Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C14H13N5O2S/c1-19-8-15-12-11(19)13(21)18-14(17-12)22-7-10(20)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,20)(H,17,18,21)