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

Systemtic Name: 4-[5-azanyl-6-[2-fluoranyl-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C18H13F4N3O MolecularWeight: 363.308933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=CC(=O)C=C2)C(=C(N1)C3=C(C=C(C=C3)C(F)(F)F)F)N

Isomeric SMILES

CC1=NC(=C2C=CC(=O)C=C2)C(=C(N1)C3=C(C=C(C=C3)C(F)(F)F)F)N

InChI

InChI=1S/C18H13F4N3O/c1-9-24-16(10-2-5-12(26)6-3-10)15(23)17(25-9)13-7-4-11(8-14(13)19)18(20,21)22/h2-8H,23H2,1H3,(H,24,25)