methyl 2-[3-[[1-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]methyl]piperidin-4-yl]methoxy]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[1-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]methyl]piperidin-4-yl]methoxy]phenyl]ethanoate Openeye Name: methyl 2-[3-[[1-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl]-4-piperidyl]methoxy]phenyl]acetate CAS Name: 2-[3-[[1-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl]-4-piperidinyl]methoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[1-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl]piperidin-4-yl]methoxy]phenyl]acetate Traditional Name: 2-[3-[[1-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]benzyl]-4-piperidyl]methoxy]phenyl]acetic acid methyl ester Formula: C32H40N6O5 MolecularWeight: 588.6972

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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)COC5=CC=CC(=C5)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CCC(CC4)COC5=CC=CC(=C5)CC(=O)OC

InChI

InChI=1S/C32H40N6O5/c1-3-4-16-42-31-35-29(33)28-30(36-31)38(32(40)34-28)20-23-10-8-22(9-11-23)19-37-14-12-24(13-15-37)21-43-26-7-5-6-25(17-26)18-27(39)41-2/h5-11,17,24H,3-4,12-16,18-21H2,1-2H3,(H,34,40)(H2,33,35,36)