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

Systemtic Name: methyl 1-[4-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenoxy]butyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]butyl]piperidine-4-carboxylate CAS Name: 1-[4-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]butyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]butyl]piperidine-4-carboxylate Traditional Name: 1-[4-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenoxy]butyl]isonipecotic acid methyl ester Formula: C27H38N6O5 MolecularWeight: 526.62782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N6O5/c1-3-4-16-38-26-30-23(28)22-24(31-26)33(27(35)29-22)18-19-7-9-21(10-8-19)37-17-6-5-13-32-14-11-20(12-15-32)25(34)36-2/h7-10,20H,3-6,11-18H2,1-2H3,(H,29,35)(H2,28,30,31)