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

Systemtic Name: ethyl 2-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]methyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl-methyl-amino]acetate CAS Name: 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl-methylamino]acetate Traditional Name: 2-[[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]benzyl]-methyl-amino]acetic acid ethyl ester Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O4/c1-4-6-11-32-21-25-19(23)18-20(26-21)28(22(30)24-18)13-16-9-7-15(8-10-16)12-27(3)14-17(29)31-5-2/h7-10H,4-6,11-14H2,1-3H3,(H,24,30)(H2,23,25,26)