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

Systemtic Name: methyl 1-[7-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)heptyl]piperidine-4-carboxylate Openeye Name: methyl 1-[7-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)heptyl]piperidine-4-carboxylate CAS Name: 1-[7-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)heptyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[7-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)heptyl]piperidine-4-carboxylate Traditional Name: 1-[7-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)heptyl]isonipecotic acid methyl ester Formula: C23H38N6O4 MolecularWeight: 462.58562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCN3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C23H38N6O4/c1-3-4-16-33-22-26-19(24)18-20(27-22)29(23(31)25-18)13-9-7-5-6-8-12-28-14-10-17(11-15-28)21(30)32-2/h17H,3-16H2,1-2H3,(H,25,31)(H2,24,26,27)