4-[3-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)propyl]benzoic acid

Systemtic Name: 4-[3-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)propyl]benzoic acid Openeye Name: 4-[3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]benzoic acid CAS Name: 4-[3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]benzoic acid IUPAC Name: 4-[3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]benzoic acid Traditional Name: 4-[3-(2-amino-4-hydroxy-6-keto-1H-pyrimidin-5-yl)propyl]benzoic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC2=C(N=C(NC2=O)N)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCC2=C(N=C(NC2=O)N)O)C(=O)O

InChI

InChI=1S/C14H15N3O4/c15-14-16-11(18)10(12(19)17-14)3-1-2-8-4-6-9(7-5-8)13(20)21/h4-7H,1-3H2,(H,20,21)(H4,15,16,17,18,19)