6-[2-azanyl-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(4-bromophenyl)methoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[2-azanyl-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(4-bromophenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(4-bromophenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(4-bromophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(4-bromophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-(4-bromobenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C24H17BrF3N3O2 MolecularWeight: 516.30989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NC(=NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)Br)N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NC(=NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)Br)N)C(F)(F)F

InChI

InChI=1S/C24H17BrF3N3O2/c25-16-8-6-14(7-9-16)13-33-17-10-11-18(19(32)12-17)21-20(15-4-2-1-3-5-15)22(24(26,27)28)31-23(29)30-21/h1-12H,13H2,(H3,29,30,31)