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

Systemtic Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-oxidanylpropyl)-5-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-hydroxypropyl)-5-(2-thienyl)pyrazole-4-carboxamide CAS Name: 1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-N-(2-hydroxypropyl)-5-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-hydroxypropyl)-5-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-hydroxypropyl)-5-(2-thienyl)pyrazole-4-carboxamide Formula: C22H20FN5O2S MolecularWeight: 437.489903

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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(C)O)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN5O2S/c1-13-10-25-22(27-19(13)15-5-7-16(23)8-6-15)28-20(18-4-3-9-31-18)17(12-26-28)21(30)24-11-14(2)29/h3-10,12,14,29H,11H2,1-2H3,(H,24,30)