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

Systemtic Name: 2-[4-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenoxy]methyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]methyl]-1-piperidyl]acetic acid CAS Name: 2-[4-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]methyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]methyl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenoxy]methyl]piperidino]acetic acid Formula: C24H32N6O5 MolecularWeight: 484.54808

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H32N6O5/c1-2-3-12-34-23-27-21(25)20-22(28-23)30(24(33)26-20)13-16-4-6-18(7-5-16)35-15-17-8-10-29(11-9-17)14-19(31)32/h4-7,17H,2-3,8-15H2,1H3,(H,26,33)(H,31,32)(H2,25,27,28)