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

Systemtic Name: methyl 1-[8-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)octyl]piperidine-4-carboxylate Openeye Name: methyl 1-[8-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)octyl]piperidine-4-carboxylate CAS Name: 1-[8-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)octyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[8-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)octyl]piperidine-4-carboxylate Traditional Name: 1-[8-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)octyl]isonipecotic acid methyl ester Formula: C24H40N6O4 MolecularWeight: 476.6122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCCN3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCCN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C24H40N6O4/c1-3-4-17-34-23-27-20(25)19-21(28-23)30(24(32)26-19)14-10-8-6-5-7-9-13-29-15-11-18(12-16-29)22(31)33-2/h18H,3-17H2,1-2H3,(H,26,32)(H2,25,27,28)