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

Systemtic Name: 6-[2-azanyl-5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(4-ethenylphenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(4-vinylphenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(4-ethenylphenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(4-ethenylphenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-(4-vinylbenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C27H22F3N3O3 MolecularWeight: 493.47709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(NC(=NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)C=C)N)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=C(NC(=NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)C=C)N)C(F)(F)F

InChI

InChI=1S/C27H22F3N3O3/c1-3-16-8-10-17(11-9-16)15-36-18-12-13-19(21(34)14-18)24-23(20-6-4-5-7-22(20)35-2)25(27(28,29)30)33-26(31)32-24/h3-14H,1,15H2,2H3,(H3,31,32,33)