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

Systemtic Name: 6-[2-azanyl-5-(4-bromophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C18H13BrF3N3O2 MolecularWeight: 440.21393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2C(=C(NC(=N2)N)C(F)(F)F)C3=CC=C(C=C3)Br)C=C1

Isomeric SMILES

COC1=CC(=O)C(=C2C(=C(NC(=N2)N)C(F)(F)F)C3=CC=C(C=C3)Br)C=C1

InChI

InChI=1S/C18H13BrF3N3O2/c1-27-11-6-7-12(13(26)8-11)15-14(9-2-4-10(19)5-3-9)16(18(20,21)22)25-17(23)24-15/h2-8H,1H3,(H3,23,24,25)