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

Systemtic Name: 5-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-2-ethyl-3-methyl-6-(trifluoromethylsulfonyl)pyrimidin-4-one Openeye Name: 5-(3-amino-2-phenyl-benzofuran-5-yl)-2-ethyl-3-methyl-6-(trifluoromethylsulfonyl)pyrimidin-4-one CAS Name: 5-(3-amino-2-phenyl-5-benzofuranyl)-2-ethyl-3-methyl-6-(trifluoromethylsulfonyl)-4-pyrimidinone IUPAC Name: 5-(3-amino-2-phenyl-1-benzofuran-5-yl)-2-ethyl-3-methyl-6-(trifluoromethylsulfonyl)pyrimidin-4-one Traditional Name: 5-(3-amino-2-phenyl-benzofuran-5-yl)-2-ethyl-3-methyl-6-triflyl-pyrimidin-4-one Formula: C22H18F3N3O4S MolecularWeight: 477.45623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=O)N1C)C2=CC3=C(C=C2)OC(=C3N)C4=CC=CC=C4)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCC1=NC(=C(C(=O)N1C)C2=CC3=C(C=C2)OC(=C3N)C4=CC=CC=C4)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O4S/c1-3-16-27-20(33(30,31)22(23,24)25)17(21(29)28(16)2)13-9-10-15-14(11-13)18(26)19(32-15)12-7-5-4-6-8-12/h4-11H,3,26H2,1-2H3