4-methyl-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzenesulfonohydrazide

Systemtic Name: 4-methyl-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzenesulfonohydrazide Openeye Name: 4-methyl-N'-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]benzenesulfonohydrazide CAS Name: 4-methyl-N'-[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]benzenesulfonohydrazide IUPAC Name: 4-methyl-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzenesulfonohydrazide Traditional Name: 4-methyl-N'-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]benzenesulfonohydrazide Formula: C17H17N7O4S MolecularWeight: 415.42638

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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-])NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C17H17N7O4S/c1-12-4-6-14(7-5-12)29(27,28)23-22-17-15(24(25)26)16(20-11-21-17)19-10-13-3-2-8-18-9-13/h2-9,11,23H,10H2,1H3,(H2,19,20,21,22)