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

Systemtic Name: 6-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(1-ethylbenzimidazol-2-yl)thio]methyl]-s-triazin-2-yl]-(2-methoxyphenyl)amine Formula: C20H21N7OS MolecularWeight: 407.49204

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4OC)N

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4OC)N

InChI

InChI=1S/C20H21N7OS/c1-3-27-15-10-6-4-8-13(15)23-20(27)29-12-17-24-18(21)26-19(25-17)22-14-9-5-7-11-16(14)28-2/h4-11H,3,12H2,1-2H3,(H3,21,22,24,25,26)