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

Systemtic Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide Openeye Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide CAS Name: N'-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-4-nitrobenzohydrazide IUPAC Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide Traditional Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide Formula: C17H17N9O5 MolecularWeight: 427.37418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N9O5/c27-17(12-2-4-13(5-3-12)25(28)29)23-22-16-14(26(30)31)15(20-10-21-16)19-6-1-8-24-9-7-18-11-24/h2-5,7,9-11H,1,6,8H2,(H,23,27)(H2,19,20,21,22)