3-[3-[6-bromanyl-2-(butylamino)pyrimidin-4-yl]sulfanyl-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methylsulfanyl-urea

Systemtic Name: 3-[3-[6-bromanyl-2-(butylamino)pyrimidin-4-yl]sulfanyl-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methylsulfanyl-urea Openeye Name: 3-[3-[6-bromo-2-(butylamino)pyrimidin-4-yl]sulfanyl-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methylsulfanyl-urea CAS Name: 3-[3-[[6-bromo-2-(butylamino)-4-pyrimidinyl]thio]-5-(trifluoromethyl)phenyl]-1-ethoxy-1-(methylthio)urea IUPAC Name: 3-[3-[6-bromo-2-(butylamino)pyrimidin-4-yl]sulfanyl-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methylsulfanylurea Traditional Name: 3-[3-[[6-bromo-2-(butylamino)pyrimidin-4-yl]thio]-5-(trifluoromethyl)phenyl]-1-ethoxy-1-(methylthio)urea Formula: C19H23BrF3N5O2S2 MolecularWeight: 554.44743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=CC(=N1)Br)SC2=CC(=CC(=C2)NC(=O)N(OCC)SC)C(F)(F)F

Isomeric SMILES

CCCCNC1=NC(=CC(=N1)Br)SC2=CC(=CC(=C2)NC(=O)N(OCC)SC)C(F)(F)F

InChI

InChI=1S/C19H23BrF3N5O2S2/c1-4-6-7-24-17-26-15(20)11-16(27-17)32-14-9-12(19(21,22)23)8-13(10-14)25-18(29)28(31-3)30-5-2/h8-11H,4-7H2,1-3H3,(H,25,29)(H,24,26,27)