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

Systemtic Name: 6-[2-azanyl-5-(4-bromophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-5-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-5-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-5-ethyl-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-5-ethyl-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-5-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C20H17BrF3N3O2 MolecularWeight: 468.26709

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=O)C1=C2C(=C(NC(=N2)N)C(F)(F)F)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

CCC1=CC(=CC(=O)C1=C2C(=C(NC(=N2)N)C(F)(F)F)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H17BrF3N3O2/c1-3-10-8-13(29-2)9-14(28)15(10)17-16(11-4-6-12(21)7-5-11)18(20(22,23)24)27-19(25)26-17/h4-9H,3H2,1-2H3,(H3,25,26,27)