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

Systemtic Name: 2-[3-[1-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperidin-4-yl]phenyl]ethanoic acid Openeye Name: 2-[3-[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-4-piperidyl]phenyl]acetic acid CAS Name: 2-[3-[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-4-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperidin-4-yl]phenyl]acetic acid Traditional Name: 2-[3-[1-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]-4-piperidyl]phenyl]acetic acid Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N6O4/c1-2-3-13-34-23-27-21(25)20-22(28-23)30(24(33)26-20)12-11-29-9-7-17(8-10-29)18-6-4-5-16(14-18)15-19(31)32/h4-6,14,17H,2-3,7-13,15H2,1H3,(H,26,33)(H,31,32)(H2,25,27,28)