3-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C21H29N5O4S2/c1-6-26(7-2)32(29,30)17-10-8-9-16(13-17)20(28)25-24-19(27)12-11-18-14(3)22-21(31-5)23-15(18)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,24,27)(H,25,28)