[4-azanyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-pyrimidin-5-yl] hypobromite

Systemtic Name: [4-azanyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-pyrimidin-5-yl] hypobromite Openeye Name: [4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-5-yl] hypobromite CAS Name: hypobromous acid [4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-5-pyrimidinyl] ester IUPAC Name: [4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl] hypobromite Traditional Name: hypobromous acid [4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2-keto-pyrimidin-5-yl] ester Formula: C9H12BrN3O5 MolecularWeight: 322.11268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=NC2=O)N)OBr)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)OBr)CO)O

InChI

InChI=1S/C9H12BrN3O5/c10-18-5-2-13(9(16)12-8(5)11)7-1-4(15)6(3-14)17-7/h2,4,6-7,14-15H,1,3H2,(H2,11,12,16)/t4-,6+,7+/m0/s1