3-chloranyl-N'-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 3-chloranyl-N'-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[6-(cyclohexylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H19ClN6O3 MolecularWeight: 390.82416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClN6O3/c18-12-6-4-5-11(9-12)17(25)23-22-16-14(24(26)27)15(19-10-20-16)21-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,23,25)(H2,19,20,21,22)