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

Systemtic Name: 2-chloranyl-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2-chloro-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 2-chloro-N'-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-chloro-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 2-chloro-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H17ClN8O3 MolecularWeight: 416.82168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN8O3/c18-13-5-2-1-4-12(13)17(27)24-23-16-14(26(28)29)15(21-10-22-16)20-6-3-8-25-9-7-19-11-25/h1-2,4-5,7,9-11H,3,6,8H2,(H,24,27)(H2,20,21,22,23)