4-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methylamino]benzoic acid

Systemtic Name: 4-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methylamino]benzoic acid Openeye Name: 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid CAS Name: 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid IUPAC Name: 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid Traditional Name: 4-[(2,4-diketo-1H-pyrimidin-5-yl)methylamino]benzoic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=CNC(=O)NC2=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=CNC(=O)NC2=O

InChI

InChI=1S/C12H11N3O4/c16-10-8(6-14-12(19)15-10)5-13-9-3-1-7(2-4-9)11(17)18/h1-4,6,13H,5H2,(H,17,18)(H2,14,15,16,19)