4-[3-[2,6-bis(oxidanylidene)-3H-purin-9-yl]propanoylamino]benzoic acid

Systemtic Name: 4-[3-[2,6-bis(oxidanylidene)-3H-purin-9-yl]propanoylamino]benzoic acid Openeye Name: 4-[3-(2,6-dioxo-3H-purin-9-yl)propanoylamino]benzoic acid CAS Name: 4-[[3-(2,6-dioxo-3H-purin-9-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(2,6-dioxo-3H-purin-9-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(2,6-diketo-3H-purin-9-yl)propanoylamino]benzoic acid Formula: C15H13N5O5 MolecularWeight: 343.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CCN2C=NC3=C2NC(=O)NC3=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCN2C=NC3=C2NC(=O)NC3=O

InChI

InChI=1S/C15H13N5O5/c21-10(17-9-3-1-8(2-4-9)14(23)24)5-6-20-7-16-11-12(20)18-15(25)19-13(11)22/h1-4,7H,5-6H2,(H,17,21)(H,23,24)(H2,18,19,22,25)