2-[3-[[3-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)propylamino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[3-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)propylamino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[3-(6-amino-2-butoxy-8-methoxy-purin-9-yl)propylamino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[3-(6-amino-2-butoxy-8-methoxy-9-purinyl)propylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[3-(6-amino-2-butoxy-8-methoxypurin-9-yl)propylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[3-(6-amino-2-butoxy-8-methoxy-purin-9-yl)propylamino]methyl]phenyl]acetic acid Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCCNCC3=CC=CC(=C3)CC(=O)O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCCNCC3=CC=CC(=C3)CC(=O)O)OC

InChI

InChI=1S/C22H30N6O4/c1-3-4-11-32-21-26-19(23)18-20(27-21)28(22(25-18)31-2)10-6-9-24-14-16-8-5-7-15(12-16)13-17(29)30/h5,7-8,12,24H,3-4,6,9-11,13-14H2,1-2H3,(H,29,30)(H2,23,26,27)