1-[2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(4,6-dimethyl-2-oxo-1-pyrimidinyl)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(2-keto-4,6-dimethyl-pyrimidin-1-yl)ethyl]triazole-4-carboxylic acid Formula: C11H13N5O3 MolecularWeight: 263.25262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1CCN2C=C(N=N2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=O)N1CCN2C=C(N=N2)C(=O)O)C

InChI

InChI=1S/C11H13N5O3/c1-7-5-8(2)16(11(19)12-7)4-3-15-6-9(10(17)18)13-14-15/h5-6H,3-4H2,1-2H3,(H,17,18)