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

Systemtic Name: methyl 1-[2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]oxyethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridyl]oxy]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]oxy]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]pyridin-2-yl]oxyethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-pyridyl]oxy]ethyl]isonipecotic acid methyl ester Formula: C24H33N7O5 MolecularWeight: 499.56272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCN4CCC(CC4)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCN4CCC(CC4)C(=O)OC

InChI

InChI=1S/C24H33N7O5/c1-3-4-12-36-23-28-20(25)19-21(29-23)31(24(33)27-19)15-16-5-6-18(26-14-16)35-13-11-30-9-7-17(8-10-30)22(32)34-2/h5-6,14,17H,3-4,7-13,15H2,1-2H3,(H,27,33)(H2,25,28,29)