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

Systemtic Name: 2-[4-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propoxymethyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxymethyl]-1-piperidyl]acetic acid CAS Name: 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxymethyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxymethyl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propoxymethyl]piperidino]acetic acid Formula: C20H32N6O5 MolecularWeight: 436.50528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCOCC3CCN(CC3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCOCC3CCN(CC3)CC(=O)O

InChI

InChI=1S/C20H32N6O5/c1-2-3-11-31-19-23-17(21)16-18(24-19)26(20(29)22-16)7-4-10-30-13-14-5-8-25(9-6-14)12-15(27)28/h14H,2-13H2,1H3,(H,22,29)(H,27,28)(H2,21,23,24)