1-[6-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)hexyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)hexyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)hexyl]piperidine-4-carboxylic acid CAS Name: 1-[6-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)hexyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)hexyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)hexyl]isonipecotic acid Formula: C21H34N6O4 MolecularWeight: 434.53246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCN3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCN3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H34N6O4/c1-2-3-14-31-20-24-17(22)16-18(25-20)27(21(30)23-16)11-7-5-4-6-10-26-12-8-15(9-13-26)19(28)29/h15H,2-14H2,1H3,(H,23,30)(H,28,29)(H2,22,24,25)