ethyl 2-[4-[(6-azanyl-2-butoxy-purin-9-yl)methyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[(6-azanyl-2-butoxy-purin-9-yl)methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[(6-amino-2-butoxy-purin-9-yl)methyl]phenoxy]acetate CAS Name: 2-[4-[(6-amino-2-butoxy-9-purinyl)methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(6-amino-2-butoxypurin-9-yl)methyl]phenoxy]acetate Traditional Name: 2-[4-[(6-amino-2-butoxy-purin-9-yl)methyl]phenoxy]acetic acid ethyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)OCC(=O)OCC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)OCC(=O)OCC

InChI

InChI=1S/C20H25N5O4/c1-3-5-10-28-20-23-18(21)17-19(24-20)25(13-22-17)11-14-6-8-15(9-7-14)29-12-16(26)27-4-2/h6-9,13H,3-5,10-12H2,1-2H3,(H2,21,23,24)