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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N9O3/c26-16(12-3-1-4-17-9-12)23-22-15-13(25(27)28)14(20-10-21-15)19-5-2-7-24-8-6-18-11-24/h1,3-4,6,8-11H,2,5,7H2,(H,23,26)(H2,19,20,21,22)