2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)ethanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)ethanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(2-cyanophenyl)acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3C#N)N

InChI

InChI=1S/C21H19N5O2S/c22-13-16-8-4-5-9-17(16)24-20(28)14-29-21-25-19(27)12-18(23)26(21)11-10-15-6-2-1-3-7-15/h1-9,12H,10-11,14,23H2,(H,24,28)