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

Systemtic Name: N,N-diethyl-4-[[6-[(4-fluorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(4-fluoroanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(4-fluoroanilino)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(4-fluoroanilino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(4-fluoroanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C20H21FN6O4S MolecularWeight: 460.481943

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN6O4S/c1-3-26(4-2)32(30,31)17-11-9-16(10-12-17)25-20-18(27(28)29)19(22-13-23-20)24-15-7-5-14(21)6-8-15/h5-13H,3-4H2,1-2H3,(H2,22,23,24,25)