2,4-bis(chloranyl)-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 2,4-bis(chloranyl)-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2,4-dichloro-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 2,4-dichloro-N'-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2,4-dichloro-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 2,4-dichloro-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H16Cl2N8O3 MolecularWeight: 451.26674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C17H16Cl2N8O3/c18-11-2-3-12(13(19)8-11)17(28)25-24-16-14(27(29)30)15(22-9-23-16)21-4-1-6-26-7-5-20-10-26/h2-3,5,7-10H,1,4,6H2,(H,25,28)(H2,21,22,23,24)