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

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-N-phenyl-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]-phenyl-amine Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C18H17N5O2S/c19-17-21-16(22-18(23-17)20-12-4-2-1-3-5-12)11-26-13-6-7-14-15(10-13)25-9-8-24-14/h1-7,10H,8-9,11H2,(H3,19,20,21,22,23)