7-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]-N4-methyl-quinazoline-2,4-diamine

Systemtic Name: 7-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]-N4-methyl-quinazoline-2,4-diamine Openeye Name: 7-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]-N4-methyl-quinazoline-2,4-diamine CAS Name: 7-[2-(ethylthio)-6-(trifluoromethyl)phenyl]-N4-methylquinazoline-2,4-diamine IUPAC Name: 7-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine Traditional Name: [2-amino-7-[2-(ethylthio)-6-(trifluoromethyl)phenyl]quinazolin-4-yl]-methyl-amine Formula: C18H17F3N4S MolecularWeight: 378.41459

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1C2=CC3=C(C=C2)C(=NC(=N3)N)NC)C(F)(F)F

Isomeric SMILES

CCSC1=CC=CC(=C1C2=CC3=C(C=C2)C(=NC(=N3)N)NC)C(F)(F)F

InChI

InChI=1S/C18H17F3N4S/c1-3-26-14-6-4-5-12(18(19,20)21)15(14)10-7-8-11-13(9-10)24-17(22)25-16(11)23-2/h4-9H,3H2,1-2H3,(H3,22,23,24,25)