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

Systemtic Name: (4S)-4-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)amino]-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Openeye Name: (4S)-4-(2,4-dimethoxyphenyl)-2-(4-fluoroanilino)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one CAS Name: (4S)-4-(2,4-dimethoxyphenyl)-2-(4-fluoroanilino)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one IUPAC Name: (4S)-4-(2,4-dimethoxyphenyl)-2-(4-fluoroanilino)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Traditional Name: (4S)-4-(2,4-dimethoxyphenyl)-2-(4-fluoroanilino)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Formula: C21H21FN5O3+ MolecularWeight: 410.421543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN5O3/c1-12-10-18(28)27-19(16-9-8-15(29-2)11-17(16)30-3)25-20(26-21(27)23-12)24-14-6-4-13(22)5-7-14/h4-11,19H,1-3H3,(H2,23,24,25,26,28)/p+1/t19-/m0/s1