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

Systemtic Name: 4-[[6-[(4-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-(4-bromoanilino)-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(4-bromoanilino)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C20H21BrN6O4S MolecularWeight: 521.38754

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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=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN6O4S/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)