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

Systemtic Name: (4S)-2-[(2,4-dimethylphenyl)amino]-8-methyl-4-phenyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Openeye Name: (4S)-2-(2,4-dimethylanilino)-8-methyl-4-phenyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one CAS Name: (4S)-2-(2,4-dimethylanilino)-8-methyl-4-phenyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one IUPAC Name: (4S)-2-(2,4-dimethylanilino)-8-methyl-4-phenyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Traditional Name: (4S)-2-(2,4-dimethylanilino)-8-methyl-4-phenyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC([N+]3=C(N2)NC(=CC3=O)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=N[C@@H]([N+]3=C(N2)NC(=CC3=O)C)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21N5O/c1-13-9-10-17(14(2)11-13)23-20-24-19(16-7-5-4-6-8-16)26-18(27)12-15(3)22-21(26)25-20/h4-12,19H,1-3H3,(H2,22,23,24,25,27)/p+1/t19-/m0/s1