1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea

Systemtic Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea Openeye Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea CAS Name: 1-[2-(cyanomethylthio)phenyl]sulfonyl-3-(4-methoxy-6-methyl-2-pyrimidinyl)urea IUPAC Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea Traditional Name: 1-[2-(cyanomethylthio)phenyl]sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea Formula: C15H15N5O4S2 MolecularWeight: 393.4407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2SCC#N)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2SCC#N)OC

InChI

InChI=1S/C15H15N5O4S2/c1-10-9-13(24-2)18-14(17-10)19-15(21)20-26(22,23)12-6-4-3-5-11(12)25-8-7-16/h3-6,9H,8H2,1-2H3,(H2,17,18,19,20,21)