4-azanyl-1-[(E)-2-bromanyl-3-methyl-4-oxidanyl-but-2-enyl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(E)-2-bromanyl-3-methyl-4-oxidanyl-but-2-enyl]pyrimidin-2-one Openeye Name: 4-amino-1-[(E)-2-bromo-4-hydroxy-3-methyl-but-2-enyl]pyrimidin-2-one CAS Name: 4-amino-1-[(E)-2-bromo-4-hydroxy-3-methylbut-2-enyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(E)-2-bromo-4-hydroxy-3-methylbut-2-enyl]pyrimidin-2-one Traditional Name: 4-amino-1-[(E)-2-bromo-4-hydroxy-3-methyl-but-2-enyl]pyrimidin-2-one Formula: C9H12BrN3O2 MolecularWeight: 274.11448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CN1C=CC(=NC1=O)N)Br)CO

Isomeric SMILES

C/C(=C(/CN1C=CC(=NC1=O)N)\Br)/CO

InChI

InChI=1S/C9H12BrN3O2/c1-6(5-14)7(10)4-13-3-2-8(11)12-9(13)15/h2-3,14H,4-5H2,1H3,(H2,11,12,15)/b7-6+