(6Z)-6-(2-azanyl-6-chloranyl-1H-pyrimidin-4-ylidene)-4-(2-fluoranyl-4-methyl-phenyl)carbonyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-(2-azanyl-6-chloranyl-1H-pyrimidin-4-ylidene)-4-(2-fluoranyl-4-methyl-phenyl)carbonyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-(2-amino-6-chloro-1H-pyrimidin-4-ylidene)-4-(2-fluoro-4-methyl-benzoyl)cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-(2-amino-6-chloro-1H-pyrimidin-4-ylidene)-4-[(2-fluoro-4-methylphenyl)-oxomethyl]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-(2-amino-6-chloro-1H-pyrimidin-4-ylidene)-4-(2-fluoro-4-methylbenzoyl)cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-(2-amino-6-chloro-1H-pyrimidin-4-ylidene)-4-(2-fluoro-4-methyl-benzoyl)cyclohexa-2,4-dien-1-one Formula: C18H13ClFN3O2 MolecularWeight: 357.766123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC(=C3C=C(NC(=N3)N)Cl)C(=O)C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C/C(=C/3\C=C(NC(=N3)N)Cl)/C(=O)C=C2)F

InChI

InChI=1S/C18H13ClFN3O2/c1-9-2-4-11(13(20)6-9)17(25)10-3-5-15(24)12(7-10)14-8-16(19)23-18(21)22-14/h2-8H,1H3,(H3,21,22,23)/b14-12-