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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]acetamide Formula: C15H14ClN5O3S MolecularWeight: 379.82136

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5O3S/c1-21-13-12(14(23)18-7-17-13)20-15(21)25-6-11(22)19-8-3-4-10(24-2)9(16)5-8/h3-5,7H,6H2,1-2H3,(H,19,22)(H,17,18,23)