2-methylpropyl 4-[[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-[2-(p-tolylsulfonyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(4-methylphenyl)sulfonylhydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(N'-tosylhydrazino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C22H24N6O6S MolecularWeight: 500.52756

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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=CC=C(C=C3)C(=O)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O6S/c1-14(2)12-34-22(29)16-6-8-17(9-7-16)25-20-19(28(30)31)21(24-13-23-20)26-27-35(32,33)18-10-4-15(3)5-11-18/h4-11,13-14,27H,12H2,1-3H3,(H2,23,24,25,26)