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

Systemtic Name: methyl 2-[3-[[6-azanyl-8-bromanyl-2-(2-hydroxyethyloxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-8-bromo-2-(2-hydroxyethoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-8-bromo-2-(2-hydroxyethoxy)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-8-bromo-2-(2-hydroxyethoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-bromo-2-(2-hydroxyethoxy)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C17H18BrN5O4 MolecularWeight: 436.25992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCO)N)N=C2Br

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCO)N)N=C2Br

InChI

InChI=1S/C17H18BrN5O4/c1-26-12(25)8-10-3-2-4-11(7-10)9-23-15-13(20-16(23)18)14(19)21-17(22-15)27-6-5-24/h2-4,7,24H,5-6,8-9H2,1H3,(H2,19,21,22)