2-methyl-6-[[prop-2-ynyl-[4-(trifluoromethylsulfonyl)phenyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-methyl-6-[[prop-2-ynyl-[4-(trifluoromethylsulfonyl)phenyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-methyl-6-[[N-prop-2-ynyl-4-(trifluoromethylsulfonyl)anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-methyl-6-[[N-prop-2-ynyl-4-(trifluoromethylsulfonyl)anilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-methyl-6-[[N-prop-2-ynyl-4-(trifluoromethylsulfonyl)anilino]methyl]-1H-quinazolin-4-one Traditional Name: 2-methyl-6-[(N-propargyl-4-triflyl-anilino)methyl]-1H-quinazolin-4-one Formula: C20H16F3N3O3S MolecularWeight: 435.41955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O3S/c1-3-10-26(15-5-7-16(8-6-15)30(28,29)20(21,22)23)12-14-4-9-18-17(11-14)19(27)25-13(2)24-18/h1,4-9,11H,10,12H2,2H3,(H,24,25,27)