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4-[7-(6-oxidanylidene-3H-purin-9-yl)heptanoylamino]benzoic acid

4-[7-(6-oxidanylidene-3H-purin-9-yl)heptanoylamino]benzoic acid

Systemtic Name:4-[7-(6-oxidanylidene-3H-purin-9-yl)heptanoylamino]benzoic acid
Openeye Name:4-[7-(6-oxo-3H-purin-9-yl)heptanoylamino]benzoic acid
CAS Name:4-[[1-oxo-7-(6-oxo-3H-purin-9-yl)heptyl]amino]benzoic acid
IUPAC Name:4-[7-(6-oxo-3H-purin-9-yl)heptanoylamino]benzoic acid
Traditional Name:4-[7-(6-keto-3H-purin-9-yl)heptanoylamino]benzoic acid
Formula: C19H21N5O4
MolecularWeight: 383.40114
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CCCCCCN2C=NC3=C2NC=NC3=O


Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCCCCCN2C=NC3=C2NC=NC3=O


InChI

InChI=1S/C19H21N5O4/c25-15(23-14-8-6-13(7-9-14)19(27)28)5-3-1-2-4-10-24-12-22-16-17(24)20-11-21-18(16)26/h6-9,11-12H,1-5,10H2,(H,23,25)(H,27,28)(H,20,21,26)


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