4-[[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C13H13N3O2 MolecularWeight: 243.26122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC=C2C=CC(=O)C=C2O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC=C2C=CC(=O)C=C2O)C

InChI

InChI=1S/C13H13N3O2/c1-8-5-9(2)16-13(15-8)14-7-10-3-4-11(17)6-12(10)18/h3-7,18H,1-2H3,(H,14,15,16)