6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N2-(p-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-s-triazin-2-yl]-(p-tolyl)amine Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N5O2S/c1-13-3-5-14(6-4-13)22-20-24-18(23-19(21)25-20)12-28-15-7-8-16-17(11-15)27-10-2-9-26-16/h3-8,11H,2,9-10,12H2,1H3,(H3,21,22,23,24,25)