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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]acetamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-9-4-5-11(6-10(9)2)19-12(22)7-24-16-20-13-14(21(16)3)17-8-18-15(13)23/h4-6,8H,7H2,1-3H3,(H,19,22)(H,17,18,23)