2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-fluoranyl-4-methyl-phenyl)propanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(3-fluoro-4-methylphenyl)propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C15H14FN5OS MolecularWeight: 331.367963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N)F

InChI

InChI=1S/C15H14FN5OS/c1-8-3-4-11(5-12(8)16)20-14(22)9(2)23-15-19-7-10(6-17)13(18)21-15/h3-5,7,9H,1-2H3,(H,20,22)(H2,18,19,21)