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

Systemtic Name: methyl 2-[3-[[6-azanyl-8-bromanyl-2-(2-methoxyethoxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-8-bromo-2-(2-methoxyethoxy)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C18H20BrN5O4 MolecularWeight: 450.2865

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC(=C3)CC(=O)OC)Br

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC(=C3)CC(=O)OC)Br

InChI

InChI=1S/C18H20BrN5O4/c1-26-6-7-28-18-22-15(20)14-16(23-18)24(17(19)21-14)10-12-5-3-4-11(8-12)9-13(25)27-2/h3-5,8H,6-7,9-10H2,1-2H3,(H2,20,22,23)