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

Systemtic Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)ethanehydrazide Openeye Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide CAS Name: N'-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-2-(4-nitrophenyl)acetohydrazide IUPAC Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide Traditional Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide Formula: C18H19N9O5 MolecularWeight: 441.40076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N9O5/c28-15(10-13-2-4-14(5-3-13)26(29)30)23-24-18-16(27(31)32)17(21-11-22-18)20-6-1-8-25-9-7-19-12-25/h2-5,7,9,11-12H,1,6,8,10H2,(H,23,28)(H2,20,21,22,24)