2-[1-(6-methoxypyridin-3-yl)-5-(4-methylsulfanylpyridin-2-yl)pyrazol-3-yl]carbonylpiperazine-1-carboxylic acid

Systemtic Name: 2-[1-(6-methoxypyridin-3-yl)-5-(4-methylsulfanylpyridin-2-yl)pyrazol-3-yl]carbonylpiperazine-1-carboxylic acid Openeye Name: 2-[1-(6-methoxy-3-pyridyl)-5-(4-methylsulfanyl-2-pyridyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid CAS Name: 2-[[1-(6-methoxy-3-pyridinyl)-5-[4-(methylthio)-2-pyridinyl]-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[1-(6-methoxypyridin-3-yl)-5-(4-methylsulfanylpyridin-2-yl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid Traditional Name: 2-[1-(6-methoxy-3-pyridyl)-5-[4-(methylthio)-2-pyridyl]pyrazole-3-carbonyl]piperazine-1-carboxylic acid Formula: C21H22N6O4S MolecularWeight: 454.50218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)C3CNCCN3C(=O)O)C4=NC=CC(=C4)SC

Isomeric SMILES

COC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)C3CNCCN3C(=O)O)C4=NC=CC(=C4)SC

InChI

InChI=1S/C21H22N6O4S/c1-31-19-4-3-13(11-24-19)27-17(15-9-14(32-2)5-6-23-15)10-16(25-27)20(28)18-12-22-7-8-26(18)21(29)30/h3-6,9-11,18,22H,7-8,12H2,1-2H3,(H,29,30)