6-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]-s-triazin-2-yl]amine Formula: C13H10F3N7S MolecularWeight: 353.32561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C13H10F3N7S/c14-13(15,16)10-19-7-4-2-1-3-6(7)9(22-10)24-5-8-20-11(17)23-12(18)21-8/h1-4H,5H2,(H4,17,18,20,21,23)