(4S)-2-[[2,3-bis(chloranyl)phenyl]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-bis(chloranyl)phenyl]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-dichloroanilino)-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-dichloroanilino)-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-dichloroanilino)-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-dichloroanilino)-4-(2-methoxyphenyl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Formula: C20H18Cl2N5O2+ MolecularWeight: 431.29522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C(N1)NC(=NC2C3=CC=CC=C3OC)NC4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

CC1=CC(=O)[N+]2=C(N1)NC(=N[C@@H]2C3=CC=CC=C3OC)NC4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C20H17Cl2N5O2/c1-11-10-16(28)27-18(12-6-3-4-9-15(12)29-2)25-19(26-20(27)23-11)24-14-8-5-7-13(21)17(14)22/h3-10,18H,1-2H3,(H2,23,24,25,26,28)/p+1/t18-/m0/s1