2-[3,5-bis(bromanyl)-4-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[3,5-bis(bromanyl)-4-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[3,5-dibromo-4-[[4-(1-hydroxy-1-methyl-ethyl)phenyl]methyl]phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[3,5-dibromo-4-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[3,5-dibromo-4-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[3,5-dibromo-4-[4-(1-hydroxy-1-methyl-ethyl)benzyl]phenyl]-1,2,4-triazine-3,5-quinone Formula: C19H17Br2N3O3 MolecularWeight: 495.16458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)CC2=C(C=C(C=C2Br)N3C(=O)NC(=O)C=N3)Br)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)CC2=C(C=C(C=C2Br)N3C(=O)NC(=O)C=N3)Br)O

InChI

InChI=1S/C19H17Br2N3O3/c1-19(2,27)12-5-3-11(4-6-12)7-14-15(20)8-13(9-16(14)21)24-18(26)23-17(25)10-22-24/h3-6,8-10,27H,7H2,1-2H3,(H,23,25,26)