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

Systemtic Name: methyl 2-[3-[1-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperidin-4-yl]oxyphenyl]ethanoate Openeye Name: methyl 2-[3-[[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-4-piperidyl]oxy]phenyl]acetate CAS Name: 2-[3-[[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-4-piperidinyl]oxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperidin-4-yl]oxyphenyl]acetate Traditional Name: 2-[3-[[1-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]-4-piperidyl]oxy]phenyl]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)N2CCN3CCC(CC3)OC4=CC=CC(=C4)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCC(CC3)OC4=CC=CC(=C4)CC(=O)OC

InChI

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