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

Systemtic Name: N-(4-chlorophenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(4-chlorophenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]acetamide Formula: C14H12ClN5O2S MolecularWeight: 349.79538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN5O2S/c1-20-12-11(13(22)17-7-16-12)19-14(20)23-6-10(21)18-9-4-2-8(15)3-5-9/h2-5,7H,6H2,1H3,(H,18,21)(H,16,17,22)