2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-fluorobenzyl)acetamide Formula: C14H12FN5OS MolecularWeight: 317.341383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=NC=C(C(=N2)N)C#N)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=NC=C(C(=N2)N)C#N)F

InChI

InChI=1S/C14H12FN5OS/c15-11-3-1-9(2-4-11)6-18-12(21)8-22-14-19-7-10(5-16)13(17)20-14/h1-4,7H,6,8H2,(H,18,21)(H2,17,19,20)