(4S)-2-[[2,3-bis(chloranyl)phenyl]amino]-8-methyl-4-(3,4,5-trimethoxyphenyl)-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]-8-methyl-4-(3,4,5-trimethoxyphenyl)-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Openeye Name: (4S)-2-(2,3-dichloroanilino)-8-methyl-4-(3,4,5-trimethoxyphenyl)-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one CAS Name: (4S)-2-(2,3-dichloroanilino)-8-methyl-4-(3,4,5-trimethoxyphenyl)-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one IUPAC Name: (4S)-2-(2,3-dichloroanilino)-8-methyl-4-(3,4,5-trimethoxyphenyl)-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Traditional Name: (4S)-2-(2,3-dichloroanilino)-8-methyl-4-(3,4,5-trimethoxyphenyl)-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Formula: C22H22Cl2N5O4+ MolecularWeight: 491.34718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N5O4/c1-11-8-17(30)29-20(12-9-15(31-2)19(33-4)16(10-12)32-3)27-21(28-22(29)25-11)26-14-7-5-6-13(23)18(14)24/h5-10,20H,1-4H3,(H2,25,26,27,28,30)/p+1/t20-/m0/s1