2-[(2-acetamido-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl ethanoate

Systemtic Name: 2-[(2-acetamido-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl ethanoate Openeye Name: 2-[(2-acetamido-8-bromo-6-oxo-3H-purin-9-yl)methoxy]ethyl acetate CAS Name: acetic acid 2-[(2-acetamido-8-bromo-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-acetamido-8-bromo-6-oxo-3H-purin-9-yl)methoxy]ethyl acetate Traditional Name: acetic acid 2-[(2-acetamido-8-bromo-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C12H14BrN5O5 MolecularWeight: 388.17406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)Br)COCCOC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)Br)COCCOC(=O)C

InChI

InChI=1S/C12H14BrN5O5/c1-6(19)14-12-16-9-8(10(21)17-12)15-11(13)18(9)5-22-3-4-23-7(2)20/h3-5H2,1-2H3,(H2,14,16,17,19,21)