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J45

Summary
Name:4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
Formula:C10 H8 Cl N5 O4 S
Formal charge:0
Formula weight:329.72 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
OpenEye OEToolkits1.7.04-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c1ccc(cc1)Nc2ncnc(Cl)c2[N+]([O-])=O
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1ccc(Nc2ncnc(Cl)c2[N+]([O-])=O)cc1
SMILESCACTVS3.370N[S](=O)(=O)c1ccc(Nc2ncnc(Cl)c2[N+]([O-])=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(ccc1Nc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1Nc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N
InChIInChI1.03InChI=1S/C10H8ClN5O4S/c11-9-8(16(17)18)10(14-5-13-9)15-6-1-3-7(4-2-6)21(12,19)20/h1-5H,(H2,12,19,20)(H,13,14,15)
InChIKeyInChI1.03DCTSAUVMCCOZNV-UHFFFAOYSA-N

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PDB entries from 2024-04-24

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