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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(9-ethyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(9-ethyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[(9-ethyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(9-ethyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(9-ethyl-6-keto-3H-purin-8-yl)thio]acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=CC(=C(C=C3)C)C

InChI

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