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

Systemtic Name: 6-[2-azanyl-5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-phenylmethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-benzyloxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-phenylmethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-phenylmethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-benzoxy-cyclohexa-2,4-dien-1-one Formula: C25H20F3N3O3 MolecularWeight: 467.43981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20F3N3O3/c1-33-20-10-6-5-9-18(20)21-22(30-24(29)31-23(21)25(26,27)28)17-12-11-16(13-19(17)32)34-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H3,29,30,31)