4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C12H18ClN5O3S2 MolecularWeight: 379.88602

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C12H18ClN5O3S2/c1-16(2)23(20,21)18-6-4-17(5-7-18)11(19)10-9(13)8-14-12(15-10)22-3/h8H,4-7H2,1-3H3