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

Systemtic Name: (4S)-2-[(2,3-dimethylphenyl)amino]-4-(2-methoxyphenyl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Openeye Name: (4S)-2-(2,3-dimethylanilino)-4-(2-methoxyphenyl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one CAS Name: (4S)-2-(2,3-dimethylanilino)-4-(2-methoxyphenyl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one IUPAC Name: (4S)-2-(2,3-dimethylanilino)-4-(2-methoxyphenyl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Traditional Name: (4S)-2-(2,3-dimethylanilino)-4-(2-methoxyphenyl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Formula: C22H24N5O2+ MolecularWeight: 390.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC([N+]3=C(N2)NC(=CC3=O)C)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=N[C@@H]([N+]3=C(N2)NC(=CC3=O)C)C4=CC=CC=C4OC)C

InChI

InChI=1S/C22H23N5O2/c1-13-8-7-10-17(15(13)3)24-21-25-20(16-9-5-6-11-18(16)29-4)27-19(28)12-14(2)23-22(27)26-21/h5-12,20H,1-4H3,(H2,23,24,25,26,28)/p+1/t20-/m0/s1