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

Systemtic Name: (4S)-8-methyl-2-[(4-methylphenyl)amino]-4-phenyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Openeye Name: (4S)-8-methyl-2-(4-methylanilino)-4-phenyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one CAS Name: (4S)-8-methyl-2-(4-methylanilino)-4-phenyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one IUPAC Name: (4S)-8-methyl-2-(4-methylanilino)-4-phenyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Traditional Name: (4S)-8-methyl-4-phenyl-2-(p-toluidino)-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Formula: C20H20N5O+ MolecularWeight: 346.4057

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O/c1-13-8-10-16(11-9-13)22-19-23-18(15-6-4-3-5-7-15)25-17(26)12-14(2)21-20(25)24-19/h3-12,18H,1-2H3,(H2,21,22,23,24,26)/p+1/t18-/m0/s1