4-[[(4-chloranyl-6-methoxy-pyrimidin-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[(4-chloranyl-6-methoxy-pyrimidin-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(4-chloro-6-methoxy-pyrimidin-2-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(4-chloro-6-methoxypyrimidin-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4-chloro-6-methoxy-pyrimidin-2-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C12H10ClN3O2 MolecularWeight: 263.6797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC=C2C=CC(=O)C=C2)Cl

Isomeric SMILES

COC1=CC(=NC(=N1)NC=C2C=CC(=O)C=C2)Cl

InChI

InChI=1S/C12H10ClN3O2/c1-18-11-6-10(13)15-12(16-11)14-7-8-2-4-9(17)5-3-8/h2-7H,1H3,(H,14,15,16)