N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-4-fluoranyl-benzohydrazide

Systemtic Name: N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-4-fluoranyl-benzohydrazide Openeye Name: N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-4-fluoro-benzohydrazide CAS Name: N'-[6-(cycloheptylamino)-5-nitro-4-pyrimidinyl]-4-fluorobenzohydrazide IUPAC Name: N'-[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]-4-fluorobenzohydrazide Traditional Name: N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-4-fluoro-benzohydrazide Formula: C18H21FN6O3 MolecularWeight: 388.396143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H21FN6O3/c19-13-9-7-12(8-10-13)18(26)24-23-17-15(25(27)28)16(20-11-21-17)22-14-5-3-1-2-4-6-14/h7-11,14H,1-6H2,(H,24,26)(H2,20,21,22,23)