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

Systemtic Name: methyl 2-[3-[[6-azanyl-8-bromanyl-2-(2-ethoxyethoxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-8-bromo-2-(2-ethoxyethoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-8-bromo-2-(2-ethoxyethoxy)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-8-bromo-2-(2-ethoxyethoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-bromo-2-(2-ethoxyethoxy)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C19H22BrN5O4 MolecularWeight: 464.31308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC(=C3)CC(=O)OC)Br

Isomeric SMILES

CCOCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC(=C3)CC(=O)OC)Br

InChI

InChI=1S/C19H22BrN5O4/c1-3-28-7-8-29-19-23-16(21)15-17(24-19)25(18(20)22-15)11-13-6-4-5-12(9-13)10-14(26)27-2/h4-6,9H,3,7-8,10-11H2,1-2H3,(H2,21,23,24)