3-(5-methyl-7-oxidanidyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate

Systemtic Name: 3-(5-methyl-7-oxidanidyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate Openeye Name: 3-[5-methyl-7-oxido-2-(3-pyridyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate CAS Name: 3-[5-methyl-7-oxido-2-(3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate IUPAC Name: 3-(5-methyl-7-oxido-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate Traditional Name: 3-[5-methyl-7-oxido-2-(3-pyridyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propionate Formula: C14H11N5O3-2 MolecularWeight: 297.26884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1CCC(=O)[O-])[O-])C3=CN=CC=C3

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1CCC(=O)[O-])[O-])C3=CN=CC=C3

InChI

InChI=1S/C14H13N5O3/c1-8-10(4-5-11(20)21)13(22)19-14(16-8)17-12(18-19)9-3-2-6-15-7-9/h2-3,6-7,22H,4-5H2,1H3,(H,20,21)/p-2