2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide Formula: C15H14FN5O2S MolecularWeight: 347.367363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC#N)C(=O)CSC2=NC(=O)C=C(N2)N)F

Isomeric SMILES

C1=CC(=CC=C1N(CCC#N)C(=O)CSC2=NC(=O)C=C(N2)N)F

InChI

InChI=1S/C15H14FN5O2S/c16-10-2-4-11(5-3-10)21(7-1-6-17)14(23)9-24-15-19-12(18)8-13(22)20-15/h2-5,8H,1,7,9H2,(H3,18,19,20,22)