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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]acetamide Formula: C15H14FN5O2S MolecularWeight: 347.367363

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C15H14FN5O2S/c1-8-3-4-9(5-10(8)16)19-11(22)6-24-15-20-12-13(21(15)2)17-7-18-14(12)23/h3-5,7H,6H2,1-2H3,(H,19,22)(H,17,18,23)