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

Systemtic Name: methyl 2-[3-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenoxy]propyl-methyl-amino]ethanoate Openeye Name: methyl 2-[3-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]propyl-methyl-amino]acetate CAS Name: 2-[3-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]propyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]propyl-methylamino]acetate Traditional Name: 2-[3-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenoxy]propyl-methyl-amino]acetic acid methyl ester Formula: C23H32N6O5 MolecularWeight: 472.53738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O5/c1-4-5-12-34-22-26-20(24)19-21(27-22)29(23(31)25-19)14-16-7-9-17(10-8-16)33-13-6-11-28(2)15-18(30)32-3/h7-10H,4-6,11-15H2,1-3H3,(H,25,31)(H2,24,26,27)