3,3-dimethyl-2-oxidanylidene-1-pyrimidin-5-yl-cyclohexane-1-carboxylic acid

Systemtic Name: 3,3-dimethyl-2-oxidanylidene-1-pyrimidin-5-yl-cyclohexane-1-carboxylic acid Openeye Name: 3,3-dimethyl-2-oxo-1-pyrimidin-5-yl-cyclohexanecarboxylic acid CAS Name: 3,3-dimethyl-2-oxo-1-(5-pyrimidinyl)-1-cyclohexanecarboxylic acid IUPAC Name: 3,3-dimethyl-2-oxo-1-pyrimidin-5-ylcyclohexane-1-carboxylic acid Traditional Name: 2-keto-3,3-dimethyl-1-(5-pyrimidyl)cyclohexanecarboxylic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1=O)(C2=CN=CN=C2)C(=O)O)C

Isomeric SMILES

CC1(CCCC(C1=O)(C2=CN=CN=C2)C(=O)O)C

InChI

InChI=1S/C13H16N2O3/c1-12(2)4-3-5-13(10(12)16,11(17)18)9-6-14-8-15-7-9/h6-8H,3-5H2,1-2H3,(H,17,18)