3-[(2,4-dimethyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(2,4-dimethyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzoic acid Openeye Name: 3-[(2,4-dimethyl-6-oxo-pyrimidin-1-yl)methyl]benzoic acid CAS Name: 3-[(2,4-dimethyl-6-oxo-1-pyrimidinyl)methyl]benzoic acid IUPAC Name: 3-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]benzoic acid Traditional Name: 3-[(6-keto-2,4-dimethyl-pyrimidin-1-yl)methyl]benzoic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)C)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=O)N(C(=N1)C)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H14N2O3/c1-9-6-13(17)16(10(2)15-9)8-11-4-3-5-12(7-11)14(18)19/h3-7H,8H2,1-2H3,(H,18,19)