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

Systemtic Name: 4-methyl-N'-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]benzenesulfonohydrazide Openeye Name: N'-[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide CAS Name: 4-methyl-N'-[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]benzenesulfonohydrazide IUPAC Name: 4-methyl-N'-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]benzenesulfonohydrazide Traditional Name: N'-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Formula: C16H22N6O4S MolecularWeight: 394.44868

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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-])NCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O4S/c1-11(2)8-9-17-15-14(22(23)24)16(19-10-18-15)20-21-27(25,26)13-6-4-12(3)5-7-13/h4-7,10-11,21H,8-9H2,1-3H3,(H2,17,18,19,20)