(4S)-4-(4-fluorophenyl)-8-methyl-2-[[3-(trifluoromethyl)phenyl]amino]-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one

Systemtic Name: (4S)-4-(4-fluorophenyl)-8-methyl-2-[[3-(trifluoromethyl)phenyl]amino]-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Openeye Name: (4S)-4-(4-fluorophenyl)-8-methyl-2-[3-(trifluoromethyl)anilino]-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one CAS Name: (4S)-4-(4-fluorophenyl)-8-methyl-2-[3-(trifluoromethyl)anilino]-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one IUPAC Name: (4S)-4-(4-fluorophenyl)-8-methyl-2-[3-(trifluoromethyl)anilino]-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Traditional Name: (4S)-4-(4-fluorophenyl)-8-methyl-2-[3-(trifluoromethyl)anilino]-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Formula: C20H16F4N5O+ MolecularWeight: 418.367553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C(N1)NC(=NC2C3=CC=C(C=C3)F)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CC(=O)[N+]2=C(N1)NC(=N[C@@H]2C3=CC=C(C=C3)F)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H15F4N5O/c1-11-9-16(30)29-17(12-5-7-14(21)8-6-12)27-18(28-19(29)25-11)26-15-4-2-3-13(10-15)20(22,23)24/h2-10,17H,1H3,(H2,25,26,27,28,30)/p+1/t17-/m0/s1