4-[bis(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzoic acid

Systemtic Name: 4-[bis(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzoic acid Openeye Name: 4-[bis(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid CAS Name: 4-[bis(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid IUPAC Name: 4-[bis(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid Traditional Name: 4-[bis(4-hydroxy-6-keto-2-methyl-1H-pyrimidin-5-yl)methyl]benzoic acid Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)C(=O)O)C3=C(N=C(NC3=O)C)O)O

Isomeric SMILES

CC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)C(=O)O)C3=C(N=C(NC3=O)C)O)O

InChI

InChI=1S/C18H16N4O6/c1-7-19-14(23)12(15(24)20-7)11(9-3-5-10(6-4-9)18(27)28)13-16(25)21-8(2)22-17(13)26/h3-6,11H,1-2H3,(H,27,28)(H2,19,20,23,24)(H2,21,22,25,26)