1-[4-oxidanylidene-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[4-oxidanylidene-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[4-oxo-6-(2-pyridylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[4-oxo-6-[(2-pyridinylthio)methyl]-1H-pyrimidin-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[4-oxo-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-6-[(2-pyridylthio)methyl]-1H-pyrimidin-2-yl]isonipecotamide Formula: C16H19N5O2S MolecularWeight: 345.41936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=CC=CC=N3

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=CC=CC=N3

InChI

InChI=1S/C16H19N5O2S/c17-15(23)11-4-7-21(8-5-11)16-19-12(9-13(22)20-16)10-24-14-3-1-2-6-18-14/h1-3,6,9,11H,4-5,7-8,10H2,(H2,17,23)(H,19,20,22)