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

Systemtic Name: 4-[[6-[(2-ethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-(2-ethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-(2-ethoxyanilino)-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-(o-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=C(C(=NC=N2)NC3=CC=CC=C3OCC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3OCC)[N+](=O)[O-]

InChI

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