1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)pyrazole-4-carboxamide CAS Name: 1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-5-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)pyrazole-4-carboxamide Formula: C25H26FN6O2S+ MolecularWeight: 493.576343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)NCC[NH+]4CCOCC4)C5=CC=CS5

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)NCC[NH+]4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C25H25FN6O2S/c1-17-15-28-25(30-22(17)18-4-6-19(26)7-5-18)32-23(21-3-2-14-35-21)20(16-29-32)24(33)27-8-9-31-10-12-34-13-11-31/h2-7,14-16H,8-13H2,1H3,(H,27,33)/p+1