2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]-N-(2-cyanoethyl)-N-(3-pyridylmethyl)acetamide Formula: C19H21ClN6OS MolecularWeight: 416.92764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N(CCC#N)CC3=CN=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N(CCC#N)CC3=CN=CC=C3)Cl

InChI

InChI=1S/C19H21ClN6OS/c20-16-11-17(25-8-1-2-9-25)24-19(23-16)28-14-18(27)26(10-4-6-21)13-15-5-3-7-22-12-15/h3,5,7,11-12H,1-2,4,8-10,13-14H2