N'-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide

Systemtic Name: N'-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Openeye Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide CAS Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitro-4-pyrimidinyl]-4-methylbenzenesulfonohydrazide IUPAC Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide Traditional Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Formula: C17H14BrFN6O4S MolecularWeight: 497.298263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H14BrFN6O4S/c1-10-2-5-12(6-3-10)30(28,29)24-23-17-15(25(26)27)16(20-9-21-17)22-14-7-4-11(18)8-13(14)19/h2-9,24H,1H3,(H2,20,21,22,23)