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

Systemtic Name: 2-(2-azanyl-2-phenyl-ethyl)-6-[(2-fluoranyl-6-methylsulfonyl-phenyl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazine-3,5-dione Openeye Name: 2-(2-amino-2-phenyl-ethyl)-6-[(2-fluoro-6-methylsulfonyl-phenyl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazine-3,5-dione CAS Name: 2-(2-amino-2-phenylethyl)-6-[(2-fluoro-6-methylsulfonylphenyl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazine-3,5-dione IUPAC Name: 2-(2-amino-2-phenylethyl)-6-[(2-fluoro-6-methylsulfonylphenyl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazine-3,5-dione Traditional Name: 2-(2-amino-2-phenyl-ethyl)-6-(2-fluoro-6-mesyl-benzyl)-4-(3-methoxyphenyl)-1,2,4-triazine-3,5-quinone Formula: C26H25FN4O5S MolecularWeight: 524.563903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(=NN(C2=O)CC(C3=CC=CC=C3)N)CC4=C(C=CC=C4S(=O)(=O)C)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C(=NN(C2=O)CC(C3=CC=CC=C3)N)CC4=C(C=CC=C4S(=O)(=O)C)F

InChI

InChI=1S/C26H25FN4O5S/c1-36-19-11-6-10-18(14-19)31-25(32)23(15-20-21(27)12-7-13-24(20)37(2,34)35)29-30(26(31)33)16-22(28)17-8-4-3-5-9-17/h3-14,22H,15-16,28H2,1-2H3