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

Systemtic Name: 6-[2-azanyl-5-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-5-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-5-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-5-ethyl-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-5-ethyl-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-5-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H20F3N3O3 MolecularWeight: 419.39701

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3O3/c1-4-11-9-14(30-3)10-15(28)16(11)18-17(12-5-7-13(29-2)8-6-12)19(21(22,23)24)27-20(25)26-18/h5-10H,4H2,1-3H3,(H3,25,26,27)