5-[[2-[(2,4-dimethylphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[2-[(2,4-dimethylphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[2-[(2,4-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[2-[(2,4-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-[(2,4-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[2-(2,4-dimethylbenzyl)-4-keto-6-methyl-1H-pyrimidin-5-yl]methyl]-2-furoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2=NC(=O)C(=C(N2)C)CC3=CC=C(O3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC2=NC(=O)C(=C(N2)C)CC3=CC=C(O3)C(=O)O)C

InChI

InChI=1S/C20H20N2O4/c1-11-4-5-14(12(2)8-11)9-18-21-13(3)16(19(23)22-18)10-15-6-7-17(26-15)20(24)25/h4-8H,9-10H2,1-3H3,(H,24,25)(H,21,22,23)