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

Systemtic Name: 2-(3-methylbutanoylamino)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2-(3-methylbutanoylamino)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate IUPAC Name: 2-(3-methylbutanoylamino)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-(isovalerylamino)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Formula: C16H16N5O2- MolecularWeight: 310.33054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NN2C(=CC(=NC2=N1)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=NN2C(=CC(=NC2=N1)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H17N5O2/c1-10(2)8-13(22)18-15-19-16-17-12(9-14(23)21(16)20-15)11-6-4-3-5-7-11/h3-7,9-10,23H,8H2,1-2H3,(H,18,20,22)/p-1