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

Systemtic Name: N2-(2-methoxyphenyl)-6-[(2-methylquinolin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-methoxyphenyl)-6-[(2-methyl-4-quinolyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methoxyphenyl)-6-[[(2-methyl-4-quinolinyl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methoxyphenyl)-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]-(2-methoxyphenyl)amine Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SCC3=NC(=NC(=N3)NC4=CC=CC=C4OC)N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SCC3=NC(=NC(=N3)NC4=CC=CC=C4OC)N

InChI

InChI=1S/C21H20N6OS/c1-13-11-18(14-7-3-4-8-15(14)23-13)29-12-19-25-20(22)27-21(26-19)24-16-9-5-6-10-17(16)28-2/h3-11H,12H2,1-2H3,(H3,22,24,25,26,27)