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

Systemtic Name: methyl 2-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-3-methoxy-phenyl]methyl-methyl-amino]ethanoate Openeye Name: methyl 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-3-methoxy-phenyl]methyl-methyl-amino]acetate CAS Name: 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-3-methoxyphenyl]methyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-3-methoxyphenyl]methyl-methylamino]acetate Traditional Name: 2-[[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-3-methoxy-benzyl]-methyl-amino]acetic acid methyl ester Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O5/c1-5-6-9-33-21-25-19(23)18-20(26-21)28(22(30)24-18)12-15-8-7-14(10-16(15)31-3)11-27(2)13-17(29)32-4/h7-8,10H,5-6,9,11-13H2,1-4H3,(H,24,30)(H2,23,25,26)