4-[[3-oxidanylidene-3-(6-oxidanylidene-3H-purin-9-yl)propyl]amino]benzoic acid

Systemtic Name: 4-[[3-oxidanylidene-3-(6-oxidanylidene-3H-purin-9-yl)propyl]amino]benzoic acid Openeye Name: 4-[[3-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]benzoic acid CAS Name: 4-[[3-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]benzoic acid IUPAC Name: 4-[[3-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]benzoic acid Traditional Name: 4-[[3-keto-3-(6-keto-3H-purin-9-yl)propyl]amino]benzoic acid Formula: C15H13N5O4 MolecularWeight: 327.29482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCC(=O)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCC(=O)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C15H13N5O4/c21-11(20-8-19-12-13(20)17-7-18-14(12)22)5-6-16-10-3-1-9(2-4-10)15(23)24/h1-4,7-8,16H,5-6H2,(H,23,24)(H,17,18,22)