2-[3-[[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylamino]methyl]phenyl]ethanoate

Systemtic Name: 2-[3-[[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylamino]methyl]phenyl]ethanoate Openeye Name: 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]methyl]phenyl]acetate CAS Name: 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]methyl]phenyl]acetate IUPAC Name: 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]methyl]phenyl]acetate Traditional Name: 2-[3-[[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butylamino]methyl]phenyl]acetate Formula: C22H29N6O4- MolecularWeight: 441.50346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O4/c1-2-3-11-32-21-26-19(23)18-20(27-21)28(22(31)25-18)10-5-4-9-24-14-16-8-6-7-15(12-16)13-17(29)30/h6-8,12,24H,2-5,9-11,13-14H2,1H3,(H,25,31)(H,29,30)(H2,23,26,27)/p-1