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

Systemtic Name: 4-[[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-(5-chloro-2-methylanilino)-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(5-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C21H23ClN6O4S MolecularWeight: 490.96312

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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=C(C=CC(=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN6O4S/c1-4-27(5-2)33(31,32)17-10-8-16(9-11-17)25-20-19(28(29)30)21(24-13-23-20)26-18-12-15(22)7-6-14(18)3/h6-13H,4-5H2,1-3H3,(H2,23,24,25,26)