N'-[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]-4-fluoranyl-benzohydrazide

Systemtic Name: N'-[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]-4-fluoranyl-benzohydrazide Openeye Name: N'-[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]-4-fluoro-benzohydrazide CAS Name: N'-[6-(N-ethyl-3-methylanilino)-5-nitro-4-pyrimidinyl]-4-fluorobenzohydrazide IUPAC Name: N'-[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]-4-fluorobenzohydrazide Traditional Name: N'-[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]-4-fluoro-benzohydrazide Formula: C20H19FN6O3 MolecularWeight: 410.401663

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN6O3/c1-3-26(16-6-4-5-13(2)11-16)19-17(27(29)30)18(22-12-23-19)24-25-20(28)14-7-9-15(21)10-8-14/h4-12H,3H2,1-2H3,(H,25,28)(H,22,23,24)