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

Systemtic Name: methyl 2-[3-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl-methyl-amino]phenyl]ethanoate Openeye Name: methyl 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-methyl-amino]phenyl]acetate CAS Name: 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-methylamino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-methylamino]phenyl]acetate Traditional Name: 2-[3-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl-methyl-amino]phenyl]acetic acid methyl ester Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(C)C3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(C)C3=CC=CC(=C3)CC(=O)OC

InChI

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