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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-fluorobenzyl)propionamide Formula: C15H14FN5OS MolecularWeight: 331.367963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14FN5OS/c1-9(23-15-20-8-11(6-17)13(18)21-15)14(22)19-7-10-2-4-12(16)5-3-10/h2-5,8-9H,7H2,1H3,(H,19,22)(H2,18,20,21)