3-(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid

Systemtic Name: 3-(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid Openeye Name: 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid CAS Name: 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid IUPAC Name: 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid Traditional Name: 3-(7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propionic acid Formula: C9H10N4O3 MolecularWeight: 222.2007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)N=C(N2)CCC(=O)O

Isomeric SMILES

CC1=CC(=O)N2C(=N1)N=C(N2)CCC(=O)O

InChI

InChI=1S/C9H10N4O3/c1-5-4-7(14)13-9(10-5)11-6(12-13)2-3-8(15)16/h4H,2-3H2,1H3,(H,15,16)(H,10,11,12)