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

Systemtic Name: 2-[3-[[1-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperidin-4-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-4-piperidyl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-4-piperidinyl]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperidin-4-yl]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[1-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]-4-piperidyl]methyl]phenyl]acetic acid Formula: C25H34N6O4 MolecularWeight: 482.57526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCC(CC3)CC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCC(CC3)CC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C25H34N6O4/c1-2-3-13-35-24-28-22(26)21-23(29-24)31(25(34)27-21)12-11-30-9-7-17(8-10-30)14-18-5-4-6-19(15-18)16-20(32)33/h4-6,15,17H,2-3,7-14,16H2,1H3,(H,27,34)(H,32,33)(H2,26,28,29)