methyl 1-[3-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]oxypropyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]oxypropyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridyl]oxy]propyl]piperidine-4-carboxylate CAS Name: 1-[3-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]oxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]pyridin-2-yl]oxypropyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-pyridyl]oxy]propyl]isonipecotic acid methyl ester Formula: C25H35N7O5 MolecularWeight: 513.5893

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCCN4CCC(CC4)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCCN4CCC(CC4)C(=O)OC

InChI

InChI=1S/C25H35N7O5/c1-3-4-13-37-24-29-21(26)20-22(30-24)32(25(34)28-20)16-17-6-7-19(27-15-17)36-14-5-10-31-11-8-18(9-12-31)23(33)35-2/h6-7,15,18H,3-5,8-14,16H2,1-2H3,(H,28,34)(H2,26,29,30)