1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]-N-(3-pyridylmethyl)isonipecotamide Formula: C18H20ClN5O2S MolecularWeight: 405.9017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C18H20ClN5O2S/c1-27-18-22-11-14(19)15(23-18)17(26)24-7-4-13(5-8-24)16(25)21-10-12-3-2-6-20-9-12/h2-3,6,9,11,13H,4-5,7-8,10H2,1H3,(H,21,25)