N-oxidanyl-4-(2-oxidanylidenepropyl)-2-phenyl-4H-pyrimidin-5-imine oxide

Systemtic Name: N-oxidanyl-4-(2-oxidanylidenepropyl)-2-phenyl-4H-pyrimidin-5-imine oxide Openeye Name: 4-acetonyl-N-hydroxy-2-phenyl-4H-pyrimidin-5-imine oxide CAS Name: N-hydroxy-4-(2-oxopropyl)-2-phenyl-4H-pyrimidin-5-imine oxide IUPAC Name: N-hydroxy-4-(2-oxopropyl)-2-phenyl-4H-pyrimidin-5-imine oxide Traditional Name: 4-acetonyl-N-hydroxy-2-phenyl-4H-pyrimidin-5-imine oxide Formula: C13H13N3O3 MolecularWeight: 259.26062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C(=[N+](O)[O-])C=NC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CC1/C(=[N+](\O)/[O-])/C=NC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3/c1-9(17)7-11-12(16(18)19)8-14-13(15-11)10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,18,19)