N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-2-fluoranyl-benzohydrazide

Systemtic Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-2-fluoranyl-benzohydrazide Openeye Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-2-fluoro-benzohydrazide CAS Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-2-fluorobenzohydrazide IUPAC Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide Traditional Name: 2-fluoro-N'-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C21H21FN6O5 MolecularWeight: 456.427043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3F)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21FN6O5/c1-32-16-8-7-13(11-17(16)33-2)9-10-23-19-18(28(30)31)20(25-12-24-19)26-27-21(29)14-5-3-4-6-15(14)22/h3-8,11-12H,9-10H2,1-2H3,(H,27,29)(H2,23,24,25,26)