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

Systemtic Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C21H20N8O3 MolecularWeight: 432.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4

InChI

InChI=1S/C21H20N8O3/c30-21(17-8-3-6-15-5-1-2-7-16(15)17)27-26-20-18(29(31)32)19(24-13-25-20)23-9-4-11-28-12-10-22-14-28/h1-3,5-8,10,12-14H,4,9,11H2,(H,27,30)(H2,23,24,25,26)