methyl 2-[3-[2-(6-azanyl-2-butoxy-purin-9-yl)ethoxy]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[2-(6-azanyl-2-butoxy-purin-9-yl)ethoxy]phenyl]ethanoate Openeye Name: methyl 2-[3-[2-(6-amino-2-butoxy-purin-9-yl)ethoxy]phenyl]acetate CAS Name: 2-[3-[2-(6-amino-2-butoxy-9-purinyl)ethoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[2-(6-amino-2-butoxypurin-9-yl)ethoxy]phenyl]acetate Traditional Name: 2-[3-[2-(6-amino-2-butoxy-purin-9-yl)ethoxy]phenyl]acetic acid methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCOC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCOC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C20H25N5O4/c1-3-4-9-29-20-23-18(21)17-19(24-20)25(13-22-17)8-10-28-15-7-5-6-14(11-15)12-16(26)27-2/h5-7,11,13H,3-4,8-10,12H2,1-2H3,(H2,21,23,24)