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

Systemtic Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide Openeye Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide CAS Name: N'-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-2-nitrobenzohydrazide IUPAC Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide Traditional Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide Formula: C17H17N9O5 MolecularWeight: 427.37418

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17N9O5/c27-17(12-4-1-2-5-13(12)25(28)29)23-22-16-14(26(30)31)15(20-10-21-16)19-6-3-8-24-9-7-18-11-24/h1-2,4-5,7,9-11H,3,6,8H2,(H,23,27)(H2,19,20,21,22)