3-[[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C17H20ClN5O4S2 MolecularWeight: 457.9548

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C17H20ClN5O4S2/c1-4-23(5-2)29(26,27)12-8-6-7-11(9-12)15(24)21-22-16(25)14-13(18)10-19-17(20-14)28-3/h6-10H,4-5H2,1-3H3,(H,21,24)(H,22,25)