6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H19N5O2S/c1-12-4-2-3-5-14(12)21-19-23-17(22-18(20)24-19)11-27-13-6-7-15-16(10-13)26-9-8-25-15/h2-7,10H,8-9,11H2,1H3,(H3,20,21,22,23,24)