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

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

Systemtic Name:potassium 4-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]benzoate
Openeye Name:potassium 4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]benzoate
CAS Name:potassium 4-[[1-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]benzoate
IUPAC Name:potassium 4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]benzoate
Traditional Name:potassium 4-[3-(6-keto-3H-purin-9-yl)propanoylamino]benzoate
Formula: C15H12KN5O4
MolecularWeight: 365.38518
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H13N5O4.K/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);/q;+1/p-1


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