6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazoline-2,4-diamine

Systemtic Name: 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazoline-2,4-diamine Openeye Name: 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazoline-2,4-diamine CAS Name: 6-[[[3-(trifluoromethyl)phenyl]thio]methyl]quinazoline-2,4-diamine IUPAC Name: 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazoline-2,4-diamine Traditional Name: [2-amino-6-[[[3-(trifluoromethyl)phenyl]thio]methyl]quinazolin-4-yl]amine Formula: C16H13F3N4S MolecularWeight: 350.36143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SCC2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F

InChI

InChI=1S/C16H13F3N4S/c17-16(18,19)10-2-1-3-11(7-10)24-8-9-4-5-13-12(6-9)14(20)23-15(21)22-13/h1-7H,8H2,(H4,20,21,22,23)