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

Systemtic Name: 2-[(2,9-dimethyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(2,9-dimethyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[(2,9-dimethyl-6-oxo-3H-purin-8-yl)thio]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[(2,9-dimethyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[(6-keto-2,9-dimethyl-3H-purin-8-yl)thio]acetamide Formula: C16H16FN5O2S MolecularWeight: 361.393943

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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)C)F

Isomeric SMILES

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

InChI

InChI=1S/C16H16FN5O2S/c1-8-4-5-10(6-11(8)17)20-12(23)7-25-16-21-13-14(22(16)3)18-9(2)19-15(13)24/h4-6H,7H2,1-3H3,(H,20,23)(H,18,19,24)