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

Systemtic Name: 6-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4,8-dimethyl-2-quinolyl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(4,8-dimethyl-2-quinolinyl)thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(4,8-dimethyl-2-quinolyl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

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