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

Systemtic Name: methyl 1-[2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethoxy]ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethoxy]ethyl]isonipecotic acid methyl ester Formula: C20H32N6O5 MolecularWeight: 436.50528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOCCN3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOCCN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H32N6O5/c1-3-4-11-31-19-23-16(21)15-17(24-19)26(20(28)22-15)10-13-30-12-9-25-7-5-14(6-8-25)18(27)29-2/h14H,3-13H2,1-2H3,(H,22,28)(H2,21,23,24)