3-(diethylamino)propyl 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethanoate

Systemtic Name: 3-(diethylamino)propyl 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: 3-(diethylamino)propyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid 3-(diethylamino)propyl ester IUPAC Name: 3-(diethylamino)propyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenyl]acetic acid 3-(diethylamino)propyl ester Formula: C25H36N6O4 MolecularWeight: 484.59114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OCCCN(CC)CC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OCCCN(CC)CC

InChI

InChI=1S/C25H36N6O4/c1-4-7-13-35-24-28-22(26)21-23(29-24)31(25(33)27-21)17-19-11-8-10-18(15-19)16-20(32)34-14-9-12-30(5-2)6-3/h8,10-11,15H,4-7,9,12-14,16-17H2,1-3H3,(H,27,33)(H2,26,28,29)