4-(2-azanyl-2-phenyl-ethyl)-6-(2-fluoranyl-3-methoxy-phenyl)-2-[(2-fluoranyl-6-methylsulfonyl-phenyl)methyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 4-(2-azanyl-2-phenyl-ethyl)-6-(2-fluoranyl-3-methoxy-phenyl)-2-[(2-fluoranyl-6-methylsulfonyl-phenyl)methyl]-1,2,4-triazine-3,5-dione Openeye Name: 4-(2-amino-2-phenyl-ethyl)-6-(2-fluoro-3-methoxy-phenyl)-2-[(2-fluoro-6-methylsulfonyl-phenyl)methyl]-1,2,4-triazine-3,5-dione CAS Name: 4-(2-amino-2-phenylethyl)-6-(2-fluoro-3-methoxyphenyl)-2-[(2-fluoro-6-methylsulfonylphenyl)methyl]-1,2,4-triazine-3,5-dione IUPAC Name: 4-(2-amino-2-phenylethyl)-6-(2-fluoro-3-methoxyphenyl)-2-[(2-fluoro-6-methylsulfonylphenyl)methyl]-1,2,4-triazine-3,5-dione Traditional Name: 4-(2-amino-2-phenyl-ethyl)-2-(2-fluoro-6-mesyl-benzyl)-6-(2-fluoro-3-methoxy-phenyl)-1,2,4-triazine-3,5-quinone Formula: C26H24F2N4O5S MolecularWeight: 542.554366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1F)C2=NN(C(=O)N(C2=O)CC(C3=CC=CC=C3)N)CC4=C(C=CC=C4S(=O)(=O)C)F

Isomeric SMILES

COC1=CC=CC(=C1F)C2=NN(C(=O)N(C2=O)CC(C3=CC=CC=C3)N)CC4=C(C=CC=C4S(=O)(=O)C)F

InChI

InChI=1S/C26H24F2N4O5S/c1-37-21-12-6-10-17(23(21)28)24-25(33)31(15-20(29)16-8-4-3-5-9-16)26(34)32(30-24)14-18-19(27)11-7-13-22(18)38(2,35)36/h3-13,20H,14-15,29H2,1-2H3