2-[[2-azanyl-7-[2-methylsulfanyl-6-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol

Systemtic Name: 2-[[2-azanyl-7-[2-methylsulfanyl-6-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol Openeye Name: 2-[[2-amino-7-[2-methylsulfanyl-6-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol CAS Name: 2-[[2-amino-7-[2-(methylthio)-6-(trifluoromethyl)phenyl]-4-quinazolinyl]amino]ethanol IUPAC Name: 2-[[2-amino-7-[2-methylsulfanyl-6-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol Traditional Name: 2-[[2-amino-7-[2-(methylthio)-6-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol Formula: C18H17F3N4OS MolecularWeight: 394.41399

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1C2=CC3=C(C=C2)C(=NC(=N3)N)NCCO)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC(=C1C2=CC3=C(C=C2)C(=NC(=N3)N)NCCO)C(F)(F)F

InChI

InChI=1S/C18H17F3N4OS/c1-27-14-4-2-3-12(18(19,20)21)15(14)10-5-6-11-13(9-10)24-17(22)25-16(11)23-7-8-26/h2-6,9,26H,7-8H2,1H3,(H3,22,23,24,25)