2-[3-[1-[5-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)pentyl]piperidin-4-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[1-[5-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)pentyl]piperidin-4-yl]phenyl]ethanoic acid Openeye Name: 2-[3-[1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]-4-piperidyl]phenyl]acetic acid CAS Name: 2-[3-[1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]-4-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-[1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]piperidin-4-yl]phenyl]acetic acid Traditional Name: 2-[3-[1-[5-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)pentyl]-4-piperidyl]phenyl]acetic acid Formula: C27H38N6O4 MolecularWeight: 510.62842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCN3CCC(CC3)C4=CC(=CC=C4)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCN3CCC(CC3)C4=CC(=CC=C4)CC(=O)O

InChI

InChI=1S/C27H38N6O4/c1-2-3-16-37-26-30-24(28)23-25(31-26)33(27(36)29-23)13-6-4-5-12-32-14-10-20(11-15-32)21-9-7-8-19(17-21)18-22(34)35/h7-9,17,20H,2-6,10-16,18H2,1H3,(H,29,36)(H,34,35)(H2,28,30,31)