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

Systemtic Name: N2-(2-methoxyphenyl)-6-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-methoxyphenyl)-6-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methoxyphenyl)-6-[[(1-methyl-5-phenyl-2-imidazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methoxyphenyl)-6-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(1-methyl-5-phenyl-imidazol-2-yl)thio]methyl]-s-triazin-2-yl]-(2-methoxyphenyl)amine Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N)C4=CC=CC=C4

InChI

InChI=1S/C21H21N7OS/c1-28-16(14-8-4-3-5-9-14)12-23-21(28)30-13-18-25-19(22)27-20(26-18)24-15-10-6-7-11-17(15)29-2/h3-12H,13H2,1-2H3,(H3,22,24,25,26,27)