ethyl 2-[4-[(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)methyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]phenoxy]acetate CAS Name: 2-[4-[(6-amino-8-bromo-2-butoxy-9-purinyl)methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(6-amino-8-bromo-2-butoxypurin-9-yl)methyl]phenoxy]acetate Traditional Name: 2-[4-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]phenoxy]acetic acid ethyl ester Formula: C20H24BrN5O4 MolecularWeight: 478.33966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)OCC(=O)OCC)Br

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)OCC(=O)OCC)Br

InChI

InChI=1S/C20H24BrN5O4/c1-3-5-10-29-20-24-17(22)16-18(25-20)26(19(21)23-16)11-13-6-8-14(9-7-13)30-12-15(27)28-4-2/h6-9H,3-5,10-12H2,1-2H3,(H2,22,24,25)