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

Systemtic Name: methyl 2-[3-[1-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]piperidin-4-yl]oxyphenyl]ethanoate Openeye Name: methyl 2-[3-[[1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-4-piperidyl]oxy]phenyl]acetate CAS Name: 2-[3-[[1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-4-piperidinyl]oxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]piperidin-4-yl]oxyphenyl]acetate Traditional Name: 2-[3-[[1-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]-4-piperidyl]oxy]phenyl]acetic acid methyl ester Formula: C26H36N6O5 MolecularWeight: 512.60124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCC(CC3)OC4=CC=CC(=C4)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCC(CC3)OC4=CC=CC(=C4)CC(=O)OC

InChI

InChI=1S/C26H36N6O5/c1-3-4-15-36-25-29-23(27)22-24(30-25)32(26(34)28-22)12-6-11-31-13-9-19(10-14-31)37-20-8-5-7-18(16-20)17-21(33)35-2/h5,7-8,16,19H,3-4,6,9-15,17H2,1-2H3,(H,28,34)(H2,27,29,30)