4-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]benzoate

Systemtic Name: 4-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]benzoate Openeye Name: 4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]benzoate IUPAC Name: 4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(6-keto-3H-purin-9-yl)propanoylamino]benzoate Formula: C15H12N5O4- MolecularWeight: 326.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CCN2C=NC3=C2NC=NC3=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CCN2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C15H13N5O4/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/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22)/p-1