2-[[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-(2-thienyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-5-thiophen-2-yl-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-thiophen-2-ylpyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-(2-thienyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C23H24FN6OS+ MolecularWeight: 451.539663

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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+](C)C)C4=CC=CS4

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)NCC[NH+](C)C)C4=CC=CS4

InChI

InChI=1S/C23H23FN6OS/c1-15-13-26-23(28-20(15)16-6-8-17(24)9-7-16)30-21(19-5-4-12-32-19)18(14-27-30)22(31)25-10-11-29(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,25,31)/p+1