2-chloranyl-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-4-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-4-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-4-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[2-[(4,6-dimethoxy-2-pyrimidinyl)methylthio]ethyl]-4-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-4-methylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylthio]ethyl]-4-mesyl-benzamide Formula: C17H20ClN3O5S2 MolecularWeight: 445.9408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)CSCCNC(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)CSCCNC(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)OC

InChI

InChI=1S/C17H20ClN3O5S2/c1-25-15-9-16(26-2)21-14(20-15)10-27-7-6-19-17(22)12-5-4-11(8-13(12)18)28(3,23)24/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,22)