sodium 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propanoate

Systemtic Name: sodium 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propanoate Openeye Name: sodium 2-[8-propyl-6-(3-pyridyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-(3-pyridyl)propanoate CAS Name: sodium 2-[8-propyl-6-(3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-(3-pyridinyl)propanoate IUPAC Name: sodium 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoate Traditional Name: sodium 2-[8-propyl-6-(3-pyridyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-(3-pyridyl)propionate Formula: C21H19N6NaO2 MolecularWeight: 410.40433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CN2C1=NN=C2C(CC3=CN=CC=C3)C(=O)[O-])C4=CN=CC=C4.[Na+]

Isomeric SMILES

CCCC1=NC(=CN2C1=NN=C2C(CC3=CN=CC=C3)C(=O)[O-])C4=CN=CC=C4.[Na+]

InChI

InChI=1S/C21H20N6O2.Na/c1-2-5-17-20-26-25-19(16(21(28)29)10-14-6-3-8-22-11-14)27(20)13-18(24-17)15-7-4-9-23-12-15;/h3-4,6-9,11-13,16H,2,5,10H2,1H3,(H,28,29);/q;+1/p-1