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

Systemtic Name: sodium 2-[8-(2-methylpropyl)-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-pyridin-3-yl-propanoate Openeye Name: sodium 2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(3-pyridyl)propanoate CAS Name: sodium 2-[8-(2-methylpropyl)-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-(3-pyridinyl)propanoate IUPAC Name: sodium 2-[8-(2-methylpropyl)-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-pyridin-3-ylpropanoate Traditional Name: sodium 2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-(3-pyridyl)propionate Formula: C23H22N5NaO2 MolecularWeight: 423.44285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=CN2C1=NN=C2C(CC3=CN=CC=C3)C(=O)[O-])C4=CC=CC=C4.[Na+]

Isomeric SMILES

CC(C)CC1=NC(=CN2C1=NN=C2C(CC3=CN=CC=C3)C(=O)[O-])C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C23H23N5O2.Na/c1-15(2)11-19-22-27-26-21(18(23(29)30)12-16-7-6-10-24-13-16)28(22)14-20(25-19)17-8-4-3-5-9-17;/h3-10,13-15,18H,11-12H2,1-2H3,(H,29,30);/q;+1/p-1