(6S)-N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-ethylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)-8-oxidanylidene-3,4,6,7-tetrahydro-2H-pyrimido[1,2-a][1,3,5]triazin-3-ium-6-carboxamide

Systemtic Name: (6S)-N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-ethylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)-8-oxidanylidene-3,4,6,7-tetrahydro-2H-pyrimido[1,2-a][1,3,5]triazin-3-ium-6-carboxamide Openeye Name: (6S)-N-(3-chloro-4-fluoro-phenyl)-1-(4-ethylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)-8-oxo-3,4,6,7-tetrahydro-2H-pyrimido[1,2-a][1,3,5]triazin-3-ium-6-carboxamide CAS Name: (6S)-N-(3-chloro-4-fluorophenyl)-1-(4-ethylphenyl)-3-[2-(4-morpholin-4-iumyl)ethyl]-8-oxo-3,4,6,7-tetrahydro-2H-pyrimido[1,2-a][1,3,5]triazin-3-ium-6-carboxamide IUPAC Name: (6S)-N-(3-chloro-4-fluorophenyl)-1-(4-ethylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)-8-oxo-3,4,6,7-tetrahydro-2H-pyrimido[1,2-a][1,3,5]triazin-3-ium-6-carboxamide Traditional Name: (6S)-N-(3-chloro-4-fluoro-phenyl)-1-(4-ethylphenyl)-8-keto-3-(2-morpholin-4-ium-4-ylethyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-a][1,3,5]triazin-3-ium-6-carboxamide Formula: C27H34ClFN6O3+2 MolecularWeight: 545.048663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C[NH+](CN3C2=NC(=O)CC3C(=O)NC4=CC(=C(C=C4)F)Cl)CC[NH+]5CCOCC5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[NH+](CN3C2=NC(=O)C[C@H]3C(=O)NC4=CC(=C(C=C4)F)Cl)CC[NH+]5CCOCC5

InChI

InChI=1S/C27H32ClFN6O3/c1-2-19-3-6-21(7-4-19)34-17-33(10-9-32-11-13-38-14-12-32)18-35-24(16-25(36)31-27(34)35)26(37)30-20-5-8-23(29)22(28)15-20/h3-8,15,24H,2,9-14,16-18H2,1H3,(H,30,37)/p+2/t24-/m0/s1