N-(2-ethyl-6-methyl-phenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(N2C)NC=NC3=O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(N2C)NC=NC3=O)C

InChI

InChI=1S/C17H19N5O2S/c1-4-11-7-5-6-10(2)13(11)20-12(23)8-25-17-21-14-15(22(17)3)18-9-19-16(14)24/h5-7,9H,4,8H2,1-3H3,(H,20,23)(H,18,19,24)