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

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

Systemtic Name:4-[6-(6-oxidanylidene-3H-purin-9-yl)hexanoylamino]benzoic acid
Openeye Name:4-[6-(6-oxo-3H-purin-9-yl)hexanoylamino]benzoic acid
CAS Name:4-[[1-oxo-6-(6-oxo-3H-purin-9-yl)hexyl]amino]benzoic acid
IUPAC Name:4-[6-(6-oxo-3H-purin-9-yl)hexanoylamino]benzoic acid
Traditional Name:4-[6-(6-keto-3H-purin-9-yl)hexanoylamino]benzoic acid
Formula: C18H19N5O4
MolecularWeight: 369.37456
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CCCCCN2C=NC3=C2NC=NC3=O


Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCCCCN2C=NC3=C2NC=NC3=O


InChI

InChI=1S/C18H19N5O4/c24-14(22-13-7-5-12(6-8-13)18(26)27)4-2-1-3-9-23-11-21-15-16(23)19-10-20-17(15)25/h5-8,10-11H,1-4,9H2,(H,22,24)(H,26,27)(H,19,20,25)


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