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

Systemtic Name: 4-[(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzoic acid Openeye Name: 4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid CAS Name: 4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid IUPAC Name: 4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid Traditional Name: 4-[(2-amino-4-hydroxy-6-keto-1H-pyrimidin-5-yl)methyl]benzoic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(N=C(NC2=O)N)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=C(N=C(NC2=O)N)O)C(=O)O

InChI

InChI=1S/C12H11N3O4/c13-12-14-9(16)8(10(17)15-12)5-6-1-3-7(4-2-6)11(18)19/h1-4H,5H2,(H,18,19)(H4,13,14,15,16,17)