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

Systemtic Name: 2,4-bis(chloranyl)-N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2,4-dichloro-N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 2,4-dichloro-N'-[6-(cycloheptylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2,4-dichloro-N'-[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 2,4-dichloro-N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C18H20Cl2N6O3 MolecularWeight: 439.2958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl2N6O3/c19-11-7-8-13(14(20)9-11)18(27)25-24-17-15(26(28)29)16(21-10-22-17)23-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H,25,27)(H2,21,22,23,24)