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

Systemtic Name: methyl 2-[methyl-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-[2-(p-tolylsulfonyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-[(4-methylphenyl)sulfonylhydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-(N'-tosylhydrazino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H20N6O6S MolecularWeight: 472.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O6S/c1-13-8-10-14(11-9-13)33(30,31)24-23-18-17(26(28)29)19(22-12-21-18)25(2)16-7-5-4-6-15(16)20(27)32-3/h4-12,24H,1-3H3,(H,21,22,23)