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

Systemtic Name: methyl 1-[6-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)hexyl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)hexyl]piperidine-4-carboxylate CAS Name: 1-[6-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)hexyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)hexyl]piperidine-4-carboxylate Traditional Name: 1-[6-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)hexyl]isonipecotic acid methyl ester Formula: C22H36N6O4 MolecularWeight: 448.55904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N6O4/c1-3-4-15-32-21-25-18(23)17-19(26-21)28(22(30)24-17)12-8-6-5-7-11-27-13-9-16(10-14-27)20(29)31-2/h16H,3-15H2,1-2H3,(H,24,30)(H2,23,25,26)