4-[(4-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(4-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzoic acid Openeye Name: 4-[(4-methyl-6-oxo-pyrimidin-1-yl)methyl]benzoic acid CAS Name: 4-[(4-methyl-6-oxo-1-pyrimidinyl)methyl]benzoic acid IUPAC Name: 4-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoic acid Traditional Name: 4-[(6-keto-4-methyl-pyrimidin-1-yl)methyl]benzoic acid Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3/c1-9-6-12(16)15(8-14-9)7-10-2-4-11(5-3-10)13(17)18/h2-6,8H,7H2,1H3,(H,17,18)