4-[3-(6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)propanoylamino]benzoic acid

Systemtic Name: 4-[3-(6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)propanoylamino]benzoic acid Openeye Name: 4-[3-(6-oxo-7,8-dihydro-3H-purin-9-yl)propanoylamino]benzoic acid CAS Name: 4-[[1-oxo-3-(6-oxo-7,8-dihydro-3H-purin-9-yl)propyl]amino]benzoic acid IUPAC Name: 4-[3-(6-oxo-7,8-dihydro-3H-purin-9-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(6-keto-7,8-dihydro-3H-purin-9-yl)propanoylamino]benzoic acid Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCC(=O)NC3=CC=C(C=C3)C(=O)O)NC=NC2=O

Isomeric SMILES

C1NC2=C(N1CCC(=O)NC3=CC=C(C=C3)C(=O)O)NC=NC2=O

InChI

InChI=1S/C15H15N5O4/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22/h1-4,7,18H,5-6,8H2,(H,19,21)(H,23,24)(H,16,17,22)