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

Systemtic Name: 4-[[6-[(4-ethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-(4-ethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-(4-ethoxyanilino)-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(4-ethoxyanilino)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C22H26N6O5S MolecularWeight: 486.54404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H26N6O5S/c1-4-27(5-2)34(31,32)19-13-9-17(10-14-19)26-22-20(28(29)30)21(23-15-24-22)25-16-7-11-18(12-8-16)33-6-3/h7-15H,4-6H2,1-3H3,(H2,23,24,25,26)