2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide Formula: C16H16FN5OS MolecularWeight: 345.394543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N(CCC#N)C2=CC=CC=C2F)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N(CCC#N)C2=CC=CC=C2F)N

InChI

InChI=1S/C16H16FN5OS/c1-11-9-14(19)21-16(20-11)24-10-15(23)22(8-4-7-18)13-6-3-2-5-12(13)17/h2-3,5-6,9H,4,8,10H2,1H3,(H2,19,20,21)