methyl 2-[3-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]oxypropylamino]ethanoate

Systemtic Name: methyl 2-[3-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]oxypropylamino]ethanoate Openeye Name: methyl 2-[3-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridyl]oxy]propylamino]acetate CAS Name: 2-[3-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]oxy]propylamino]acetic acid methyl ester IUPAC Name: methyl 2-[3-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]pyridin-2-yl]oxypropylamino]acetate Traditional Name: 2-[3-[[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-pyridyl]oxy]propylamino]acetic acid methyl ester Formula: C21H29N7O5 MolecularWeight: 459.49886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O5/c1-3-4-9-33-20-26-18(22)17-19(27-20)28(21(30)25-17)13-14-6-7-15(24-11-14)32-10-5-8-23-12-16(29)31-2/h6-7,11,23H,3-5,8-10,12-13H2,1-2H3,(H,25,30)(H2,22,26,27)