1-octadecyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea

Systemtic Name: 1-octadecyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea Openeye Name: 1-octadecyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea CAS Name: 1-octadecyl-3-[[2-(trifluoromethyl)-4-quinazolinyl]amino]urea IUPAC Name: 1-octadecyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea Traditional Name: 1-stearyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea Formula: C28H44F3N5O MolecularWeight: 523.67707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NNC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NNC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C28H44F3N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-27(37)36-35-25-23-20-17-18-21-24(23)33-26(34-25)28(29,30)31/h17-18,20-21H,2-16,19,22H2,1H3,(H2,32,36,37)(H,33,34,35)