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

Systemtic Name: 3-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]furan-2-carboxylic acid Openeye Name: 3-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]furan-2-carboxylic acid CAS Name: 3-[(4,6-dimethyl-2-oxo-1-pyrimidinyl)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 3-[(2-keto-4,6-dimethyl-pyrimidin-1-yl)methyl]-2-furoic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1CC2=C(OC=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=O)N1CC2=C(OC=C2)C(=O)O)C

InChI

InChI=1S/C12H12N2O4/c1-7-5-8(2)14(12(17)13-7)6-9-3-4-18-10(9)11(15)16/h3-5H,6H2,1-2H3,(H,15,16)