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

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

Systemtic Name:methyl 2-[3-[2-(6-azanyl-2-butoxy-purin-9-yl)ethyl]phenyl]ethanoate
Openeye Name:methyl 2-[3-[2-(6-amino-2-butoxy-purin-9-yl)ethyl]phenyl]acetate
CAS Name:2-[3-[2-(6-amino-2-butoxy-9-purinyl)ethyl]phenyl]acetic acid methyl ester
IUPAC Name:methyl 2-[3-[2-(6-amino-2-butoxypurin-9-yl)ethyl]phenyl]acetate
Traditional Name:2-[3-[2-(6-amino-2-butoxy-purin-9-yl)ethyl]phenyl]acetic acid methyl ester
Formula: C20H25N5O3
MolecularWeight: 383.4442
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCC3=CC=CC(=C3)CC(=O)OC


Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCC3=CC=CC(=C3)CC(=O)OC


InChI

InChI=1S/C20H25N5O3/c1-3-4-10-28-20-23-18(21)17-19(24-20)25(13-22-17)9-8-14-6-5-7-15(11-14)12-16(26)27-2/h5-7,11,13H,3-4,8-10,12H2,1-2H3,(H2,21,23,24)


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