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

Systemtic Name: 2-[3-[[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl-methyl-amino]methyl]phenyl]ethanoate Openeye Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-methyl-amino]methyl]phenyl]acetate CAS Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-methylamino]methyl]phenyl]acetate IUPAC Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-methylamino]methyl]phenyl]acetate Traditional Name: 2-[3-[[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl-methyl-amino]methyl]phenyl]acetate Formula: C21H27N6O4- MolecularWeight: 427.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN(C)CC3=CC=CC(=C3)CC(=O)[O-]

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN(C)CC3=CC=CC(=C3)CC(=O)[O-]

InChI

InChI=1S/C21H28N6O4/c1-3-4-10-31-20-24-18(22)17-19(25-20)27(21(30)23-17)9-8-26(2)13-15-7-5-6-14(11-15)12-16(28)29/h5-7,11H,3-4,8-10,12-13H2,1-2H3,(H,23,30)(H,28,29)(H2,22,24,25)/p-1