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

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-N-(2-methoxyphenyl)-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]-(2-methoxyphenyl)amine Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N5O3S/c1-26-15-6-3-2-5-14(15)22-20-24-18(23-19(21)25-20)12-29-13-7-8-16-17(11-13)28-10-4-9-27-16/h2-3,5-8,11H,4,9-10,12H2,1H3,(H3,21,22,23,24,25)