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3-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethoxy]benzoic acid

3-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethoxy]benzoic acid

Systemtic Name:3-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethoxy]benzoic acid
Openeye Name:3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]benzoic acid
CAS Name:3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]benzoic acid
IUPAC Name:3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]benzoic acid
Traditional Name:3-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethoxy]benzoic acid
Formula: C18H21N5O5
MolecularWeight: 387.38984
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOC3=CC=CC(=C3)C(=O)O


Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOC3=CC=CC(=C3)C(=O)O


InChI

InChI=1S/C18H21N5O5/c1-2-3-8-28-17-21-14(19)13-15(22-17)23(18(26)20-13)7-9-27-12-6-4-5-11(10-12)16(24)25/h4-6,10H,2-3,7-9H2,1H3,(H,20,26)(H,24,25)(H2,19,21,22)


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