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

Systemtic Name: methyl 1-[2-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenyl]ethyl]isonipecotic acid methyl ester Formula: C25H34N6O4 MolecularWeight: 482.57526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CCN4CCC(CC4)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CCN4CCC(CC4)C(=O)OC

InChI

InChI=1S/C25H34N6O4/c1-3-4-15-35-24-28-21(26)20-22(29-24)31(25(33)27-20)16-18-7-5-17(6-8-18)9-12-30-13-10-19(11-14-30)23(32)34-2/h5-8,19H,3-4,9-16H2,1-2H3,(H,27,33)(H2,26,28,29)