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

Systemtic Name: 2-[3-[2-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)ethylamino]phenyl]ethanoate Openeye Name: 2-[3-[2-(6-amino-2-butoxy-8-methoxy-purin-9-yl)ethylamino]phenyl]acetate CAS Name: 2-[3-[2-(6-amino-2-butoxy-8-methoxy-9-purinyl)ethylamino]phenyl]acetate IUPAC Name: 2-[3-[2-(6-amino-2-butoxy-8-methoxypurin-9-yl)ethylamino]phenyl]acetate Traditional Name: 2-[3-[2-(6-amino-2-butoxy-8-methoxy-purin-9-yl)ethylamino]phenyl]acetate Formula: C20H25N6O4- MolecularWeight: 413.4503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCNC3=CC=CC(=C3)CC(=O)[O-])OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCNC3=CC=CC(=C3)CC(=O)[O-])OC

InChI

InChI=1S/C20H26N6O4/c1-3-4-10-30-19-24-17(21)16-18(25-19)26(20(23-16)29-2)9-8-22-14-7-5-6-13(11-14)12-15(27)28/h5-7,11,22H,3-4,8-10,12H2,1-2H3,(H,27,28)(H2,21,24,25)/p-1