3-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-2-ethyl-5-methyl-6-(trifluoromethylsulfonyl)-1,2-dihydropyrimidin-4-one

Systemtic Name: 3-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-2-ethyl-5-methyl-6-(trifluoromethylsulfonyl)-1,2-dihydropyrimidin-4-one Openeye Name: 3-(3-amino-2-phenyl-benzofuran-5-yl)-2-ethyl-5-methyl-6-(trifluoromethylsulfonyl)-1,2-dihydropyrimidin-4-one CAS Name: 3-(3-amino-2-phenyl-5-benzofuranyl)-2-ethyl-5-methyl-6-(trifluoromethylsulfonyl)-1,2-dihydropyrimidin-4-one IUPAC Name: 3-(3-amino-2-phenyl-1-benzofuran-5-yl)-2-ethyl-5-methyl-6-(trifluoromethylsulfonyl)-1,2-dihydropyrimidin-4-one Traditional Name: 3-(3-amino-2-phenyl-benzofuran-5-yl)-2-ethyl-5-methyl-6-triflyl-1,2-dihydropyrimidin-4-one Formula: C22H20F3N3O4S MolecularWeight: 479.47211

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Descriptors Computed from Structure

Canonical SMILES:

CCC1NC(=C(C(=O)N1C2=CC3=C(C=C2)OC(=C3N)C4=CC=CC=C4)C)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCC1NC(=C(C(=O)N1C2=CC3=C(C=C2)OC(=C3N)C4=CC=CC=C4)C)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O4S/c1-3-17-27-20(33(30,31)22(23,24)25)12(2)21(29)28(17)14-9-10-16-15(11-14)18(26)19(32-16)13-7-5-4-6-8-13/h4-11,17,27H,3,26H2,1-2H3