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

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-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]amine Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NC(=NC(=N3)N)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NC(=NC(=N3)N)N)OC1

InChI

InChI=1S/C13H15N5O2S/c14-12-16-11(17-13(15)18-12)7-21-8-2-3-9-10(6-8)20-5-1-4-19-9/h2-3,6H,1,4-5,7H2,(H4,14,15,16,17,18)