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

Systemtic Name: N,N-diethyl-4-[[6-[(4-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(4-methoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(4-methoxyanilino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-(p-anisidino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H24N6O5S MolecularWeight: 472.51746

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O5S/c1-4-26(5-2)33(30,31)18-12-8-16(9-13-18)25-21-19(27(28)29)20(22-14-23-21)24-15-6-10-17(32-3)11-7-15/h6-14H,4-5H2,1-3H3,(H2,22,23,24,25)