5-methyl-2-(3-methylbutanoylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-methyl-2-(3-methylbutanoylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-methyl-2-(3-methylbutanoylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-methyl-2-[(3-methyl-1-oxobutyl)amino]-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate IUPAC Name: 5-methyl-2-(3-methylbutanoylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-(isovalerylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Formula: C11H14N5O2- MolecularWeight: 248.26116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)[O-])NC(=O)CC(C)C

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)[O-])NC(=O)CC(C)C

InChI

InChI=1S/C11H15N5O2/c1-6(2)4-8(17)13-10-14-11-12-7(3)5-9(18)16(11)15-10/h5-6,18H,4H2,1-3H3,(H,13,15,17)/p-1