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

Systemtic Name: N-(4-ethanoylphenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]acetamide Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O3S/c1-9(22)10-3-5-11(6-4-10)19-12(23)7-25-16-20-13-14(21(16)2)17-8-18-15(13)24/h3-6,8H,7H2,1-2H3,(H,19,23)(H,17,18,24)