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

Systemtic Name: methyl 2-[3-[1-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl]piperidin-4-yl]oxyphenyl]ethanoate Openeye Name: methyl 2-[3-[[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]-4-piperidyl]oxy]phenyl]acetate CAS Name: 2-[3-[[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]-4-piperidinyl]oxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]piperidin-4-yl]oxyphenyl]acetate Traditional Name: 2-[3-[[1-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl]-4-piperidyl]oxy]phenyl]acetic acid methyl ester Formula: C27H38N6O5 MolecularWeight: 526.62782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCC(CC3)OC4=CC=CC(=C4)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCC(CC3)OC4=CC=CC(=C4)CC(=O)OC

InChI

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