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

Systemtic Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Openeye Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide CAS Name: N'-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-4-methylbenzenesulfonohydrazide IUPAC Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide Traditional Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Formula: C17H20N8O4S MolecularWeight: 432.4569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C17H20N8O4S/c1-13-3-5-14(6-4-13)30(28,29)23-22-17-15(25(26)27)16(20-11-21-17)19-7-2-9-24-10-8-18-12-24/h3-6,8,10-12,23H,2,7,9H2,1H3,(H2,19,20,21,22)