N'-[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NNS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NNS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H22N6O4S/c1-4-5-10-21(3)16-14(22(23)24)15(17-11-18-16)19-20-27(25,26)13-8-6-12(2)7-9-13/h6-9,11,20H,4-5,10H2,1-3H3,(H,17,18,19)