N-(3,4-dimethoxyphenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]acetamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C16H17N5O4S/c1-21-14-13(15(23)18-8-17-14)20-16(21)26-7-12(22)19-9-4-5-10(24-2)11(6-9)25-3/h4-6,8H,7H2,1-3H3,(H,19,22)(H,17,18,23)