4-[[6-[(2,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[6-[(2,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-(2,5-dimethylanilino)-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(2,5-dimethylanilino)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4S/c1-5-27(6-2)33(31,32)18-11-9-17(10-12-18)25-21-20(28(29)30)22(24-14-23-21)26-19-13-15(3)7-8-16(19)4/h7-14H,5-6H2,1-4H3,(H2,23,24,25,26)