N'-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide

Systemtic Name: N'-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Openeye Name: 4-methyl-N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]benzenesulfonohydrazide CAS Name: N'-[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]-4-methylbenzenesulfonohydrazide IUPAC Name: N'-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide Traditional Name: 4-methyl-N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]benzenesulfonohydrazide Formula: C15H20N6O4S MolecularWeight: 380.4221

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC=N1)NNS(=O)(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=NC=N1)NNS(=O)(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O4S/c1-4-11(3)18-14-13(21(22)23)15(17-9-16-14)19-20-26(24,25)12-7-5-10(2)6-8-12/h5-9,11,20H,4H2,1-3H3,(H2,16,17,18,19)