2-[3-[[4-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)butylamino]methyl]phenyl]ethanoate

Systemtic Name: 2-[3-[[4-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)butylamino]methyl]phenyl]ethanoate Openeye Name: 2-[3-[[4-(6-amino-2-butoxy-8-methoxy-purin-9-yl)butylamino]methyl]phenyl]acetate CAS Name: 2-[3-[[4-(6-amino-2-butoxy-8-methoxy-9-purinyl)butylamino]methyl]phenyl]acetate IUPAC Name: 2-[3-[[4-(6-amino-2-butoxy-8-methoxypurin-9-yl)butylamino]methyl]phenyl]acetate Traditional Name: 2-[3-[[4-(6-amino-2-butoxy-8-methoxy-purin-9-yl)butylamino]methyl]phenyl]acetate Formula: C23H31N6O4- MolecularWeight: 455.53004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCCCNCC3=CC=CC(=C3)CC(=O)[O-])OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCCCNCC3=CC=CC(=C3)CC(=O)[O-])OC

InChI

InChI=1S/C23H32N6O4/c1-3-4-12-33-22-27-20(24)19-21(28-22)29(23(26-19)32-2)11-6-5-10-25-15-17-9-7-8-16(13-17)14-18(30)31/h7-9,13,25H,3-6,10-12,14-15H2,1-2H3,(H,30,31)(H2,24,27,28)/p-1