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

Systemtic Name: 5-[[2-[(2,4-dimethylphenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[2-[(2,4-dimethylphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[2-[(2,4-dimethylphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-[(2,4-dimethylphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[2-(2,4-dimethylbenzyl)-4-hydroxy-6-keto-1H-pyrimidin-5-yl]methyl]-2-furoic acid Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5/c1-10-3-4-12(11(2)7-10)8-16-20-17(22)14(18(23)21-16)9-13-5-6-15(26-13)19(24)25/h3-7H,8-9H2,1-2H3,(H,24,25)(H2,20,21,22,23)