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

Systemtic Name: methyl 1-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]benzyl]isonipecotic acid methyl ester Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CCC(CC4)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CCC(CC4)C(=O)OC

InChI

InChI=1S/C24H32N6O4/c1-3-4-13-34-23-27-20(25)19-21(28-23)30(24(32)26-19)15-17-7-5-16(6-8-17)14-29-11-9-18(10-12-29)22(31)33-2/h5-8,18H,3-4,9-15H2,1-2H3,(H,26,32)(H2,25,27,28)