methyl 1-[5-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)pentyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)pentyl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]piperidine-4-carboxylate CAS Name: 1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]piperidine-4-carboxylate Traditional Name: 1-[5-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)pentyl]isonipecotic acid methyl ester Formula: C21H34N6O4 MolecularWeight: 434.53246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCN3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCN3CCC(CC3)C(=O)OC

InChI

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