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

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-N-phenyl-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]-phenyl-amine Formula: C19H19N5O2S MolecularWeight: 381.45146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)OC1

InChI

InChI=1S/C19H19N5O2S/c20-18-22-17(23-19(24-18)21-13-5-2-1-3-6-13)12-27-14-7-8-15-16(11-14)26-10-4-9-25-15/h1-3,5-8,11H,4,9-10,12H2,(H3,20,21,22,23,24)