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

Systemtic Name: N2-(2-methylphenyl)-6-[(2-methylquinolin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(2-methyl-4-quinolyl)sulfanylmethyl]-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methylphenyl)-6-[[(2-methyl-4-quinolinyl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methylphenyl)-6-[(2-methylquinolin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(2-methyl-4-quinolyl)thio]methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H20N6S/c1-13-7-3-5-9-16(13)24-21-26-19(25-20(22)27-21)12-28-18-11-14(2)23-17-10-6-4-8-15(17)18/h3-11H,12H2,1-2H3,(H3,22,24,25,26,27)