N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-2-fluoranyl-benzohydrazide

Systemtic Name: N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-2-fluoranyl-benzohydrazide Openeye Name: N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-2-fluoro-benzohydrazide CAS Name: N'-[6-(cycloheptylamino)-5-nitro-4-pyrimidinyl]-2-fluorobenzohydrazide IUPAC Name: N'-[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide Traditional Name: N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-2-fluoro-benzohydrazide Formula: C18H21FN6O3 MolecularWeight: 388.396143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C18H21FN6O3/c19-14-10-6-5-9-13(14)18(26)24-23-17-15(25(27)28)16(20-11-21-17)22-12-7-3-1-2-4-8-12/h5-6,9-12H,1-4,7-8H2,(H,24,26)(H2,20,21,22,23)