N-(2-methoxy-5-methyl-phenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: 2-[(6-keto-9-methyl-3H-purin-8-yl)thio]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(N2C)NC=NC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(N2C)NC=NC3=O

InChI

InChI=1S/C16H17N5O3S/c1-9-4-5-11(24-3)10(6-9)19-12(22)7-25-16-20-13-14(21(16)2)17-8-18-15(13)23/h4-6,8H,7H2,1-3H3,(H,19,22)(H,17,18,23)