1-(4-chloranyl-6-methoxy-pyrimidin-2-yl)-3-[3-(methylsulfanylmethyl)pyridin-2-yl]sulfonyl-urea

Systemtic Name: 1-(4-chloranyl-6-methoxy-pyrimidin-2-yl)-3-[3-(methylsulfanylmethyl)pyridin-2-yl]sulfonyl-urea Openeye Name: 1-(4-chloro-6-methoxy-pyrimidin-2-yl)-3-[[3-(methylsulfanylmethyl)-2-pyridyl]sulfonyl]urea CAS Name: 1-(4-chloro-6-methoxy-2-pyrimidinyl)-3-[[3-[(methylthio)methyl]-2-pyridinyl]sulfonyl]urea IUPAC Name: 1-(4-chloro-6-methoxypyrimidin-2-yl)-3-[3-(methylsulfanylmethyl)pyridin-2-yl]sulfonylurea Traditional Name: 1-(4-chloro-6-methoxy-pyrimidin-2-yl)-3-[[3-[(methylthio)methyl]-2-pyridyl]sulfonyl]urea Formula: C13H14ClN5O4S2 MolecularWeight: 403.86436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)CSC)Cl

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)CSC)Cl

InChI

InChI=1S/C13H14ClN5O4S2/c1-23-10-6-9(14)16-12(17-10)18-13(20)19-25(21,22)11-8(7-24-2)4-3-5-15-11/h3-6H,7H2,1-2H3,(H2,16,17,18,19,20)