2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(4-fluorobenzyl)propionamide Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H17FN4O2S/c1-13(19(27)24-12-14-7-9-16(22)10-8-14)29-21-25-18(15-5-3-2-4-6-15)17(11-23)20(28)26-21/h2-10,13H,12H2,1H3,(H,24,27)(H,25,26,28)