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

Systemtic Name: (4S)-4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Openeye Name: (4S)-2-(4-methoxyanilino)-4-(4-methoxyphenyl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one CAS Name: (4S)-2-(4-methoxyanilino)-4-(4-methoxyphenyl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one IUPAC Name: (4S)-2-(4-methoxyanilino)-4-(4-methoxyphenyl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Traditional Name: (4S)-4-(4-methoxyphenyl)-8-methyl-2-(p-anisidino)-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Formula: C21H22N5O3+ MolecularWeight: 392.43108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-13-12-18(27)26-19(14-4-8-16(28-2)9-5-14)24-20(25-21(26)22-13)23-15-6-10-17(29-3)11-7-15/h4-12,19H,1-3H3,(H2,22,23,24,25,27)/p+1/t19-/m0/s1