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

Systemtic Name: 4-[2-(2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethyl]benzoic acid Openeye Name: 4-[2-(2-amino-4-oxo-1H-pyrimidin-6-yl)ethyl]benzoic acid CAS Name: 4-[2-(2-amino-4-oxo-1H-pyrimidin-6-yl)ethyl]benzoic acid IUPAC Name: 4-[2-(2-amino-4-oxo-1H-pyrimidin-6-yl)ethyl]benzoic acid Traditional Name: 4-[2-(2-amino-4-keto-1H-pyrimidin-6-yl)ethyl]benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CC(=O)N=C(N2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CC(=O)N=C(N2)N)C(=O)O

InChI

InChI=1S/C13H13N3O3/c14-13-15-10(7-11(17)16-13)6-3-8-1-4-9(5-2-8)12(18)19/h1-2,4-5,7H,3,6H2,(H,18,19)(H3,14,15,16,17)