N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]-4-methylbenzenesulfonohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide Traditional Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Formula: C18H16N6O6S MolecularWeight: 444.42124

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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-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N6O6S/c1-11-2-5-13(6-3-11)31(27,28)23-22-18-16(24(25)26)17(19-9-20-18)21-12-4-7-14-15(8-12)30-10-29-14/h2-9,23H,10H2,1H3,(H2,19,20,21,22)