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

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]benzenesulfonamide Formula: C20H24N6O4S2 MolecularWeight: 476.57236

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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)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O4S2/c1-3-25(4-2)32(29,30)17-9-7-15(8-10-17)24-20-18(26(27)28)19(22-14-23-20)21-12-11-16-6-5-13-31-16/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,21,22,23,24)