2-[[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzoic acid Openeye Name: 2-[[3-(2-amino-3-hydroxy-3-oxo-propyl)-2,6-dioxo-pyrimidin-1-yl]methyl]benzoic acid CAS Name: 2-[[3-(2-amino-3-hydroxy-3-oxopropyl)-2,6-dioxo-1-pyrimidinyl]methyl]benzoic acid IUPAC Name: 2-[[3-(2-amino-3-hydroxy-3-oxopropyl)-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid Traditional Name: 2-[[3-(2-amino-3-hydroxy-3-keto-propyl)-2,6-diketo-pyrimidin-1-yl]methyl]benzoic acid Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)