6-[(6-fluoranylquinolin-8-yl)methylsulfanylmethyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(6-fluoranylquinolin-8-yl)methylsulfanylmethyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(6-fluoro-8-quinolyl)methylsulfanylmethyl]-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(6-fluoro-8-quinolinyl)methylthio]methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(6-fluoro-8-quinolyl)methylthio]methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C21H19FN6S MolecularWeight: 406.479163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC3=C4C(=CC(=C3)F)C=CC=N4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC3=C4C(=CC(=C3)F)C=CC=N4

InChI

InChI=1S/C21H19FN6S/c1-13-5-2-3-7-17(13)25-21-27-18(26-20(23)28-21)12-29-11-15-10-16(22)9-14-6-4-8-24-19(14)15/h2-10H,11-12H2,1H3,(H3,23,25,26,27,28)