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

Systemtic Name: methyl 2-[4-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenoxy]methyl]piperidin-1-yl]ethanoate Openeye Name: methyl 2-[4-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]methyl]-1-piperidyl]acetate CAS Name: 2-[4-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]methyl]-1-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]methyl]piperidin-1-yl]acetate Traditional Name: 2-[4-[[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenoxy]methyl]piperidino]acetic acid methyl ester Formula: C25H34N6O5 MolecularWeight: 498.57466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)OCC4CCN(CC4)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)OCC4CCN(CC4)CC(=O)OC

InChI

InChI=1S/C25H34N6O5/c1-3-4-13-35-24-28-22(26)21-23(29-24)31(25(33)27-21)14-17-5-7-19(8-6-17)36-16-18-9-11-30(12-10-18)15-20(32)34-2/h5-8,18H,3-4,9-16H2,1-2H3,(H,27,33)(H2,26,28,29)