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

Systemtic Name: methyl 1-[4-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]oxybutyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridyl]oxy]butyl]piperidine-4-carboxylate CAS Name: 1-[4-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]oxy]butyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]pyridin-2-yl]oxybutyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-pyridyl]oxy]butyl]isonipecotic acid methyl ester Formula: C26H37N7O5 MolecularWeight: 527.61588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCCCN4CCC(CC4)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCCCN4CCC(CC4)C(=O)OC

InChI

InChI=1S/C26H37N7O5/c1-3-4-14-38-25-30-22(27)21-23(31-25)33(26(35)29-21)17-18-7-8-20(28-16-18)37-15-6-5-11-32-12-9-19(10-13-32)24(34)36-2/h7-8,16,19H,3-6,9-15,17H2,1-2H3,(H,29,35)(H2,27,30,31)