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

Systemtic Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide Openeye Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide CAS Name: N'-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-4-pyridinecarbohydrazide IUPAC Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide Traditional Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]isonicotinohydrazide Formula: C16H17N9O3 MolecularWeight: 383.36468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N9O3/c26-16(12-2-5-17-6-3-12)23-22-15-13(25(27)28)14(20-10-21-15)19-4-1-8-24-9-7-18-11-24/h2-3,5-7,9-11H,1,4,8H2,(H,23,26)(H2,19,20,21,22)