methyl 2-[3-[2-(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)ethyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[2-(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)ethyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[2-(6-amino-8-bromo-2-butoxy-purin-9-yl)ethyl]phenyl]acetate CAS Name: 2-[3-[2-(6-amino-8-bromo-2-butoxy-9-purinyl)ethyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[2-(6-amino-8-bromo-2-butoxypurin-9-yl)ethyl]phenyl]acetate Traditional Name: 2-[3-[2-(6-amino-8-bromo-2-butoxy-purin-9-yl)ethyl]phenyl]acetic acid methyl ester Formula: C20H24BrN5O3 MolecularWeight: 462.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCC3=CC=CC(=C3)CC(=O)OC)Br

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCC3=CC=CC(=C3)CC(=O)OC)Br

InChI

InChI=1S/C20H24BrN5O3/c1-3-4-10-29-20-24-17(22)16-18(25-20)26(19(21)23-16)9-8-13-6-5-7-14(11-13)12-15(27)28-2/h5-7,11H,3-4,8-10,12H2,1-2H3,(H2,22,24,25)