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

Systemtic Name: 6-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4,8-dimethyl-2-quinolyl)sulfanylmethyl]-N2-(p-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(4,8-dimethyl-2-quinolinyl)thio]methyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(4,8-dimethyl-2-quinolyl)thio]methyl]-s-triazin-2-yl]-(p-tolyl)amine Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C22H22N6S/c1-13-7-9-16(10-8-13)24-22-26-18(25-21(23)28-22)12-29-19-11-15(3)17-6-4-5-14(2)20(17)27-19/h4-11H,12H2,1-3H3,(H3,23,24,25,26,28)