6-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(7-chloro-1,3-benzodioxol-5-yl)methylthio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(7-chloro-1,3-benzodioxol-5-yl)methylthio]methyl]-s-triazin-2-yl]amine Formula: C12H12ClN5O2S MolecularWeight: 325.77398

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSCC3=NC(=NC(=N3)N)N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSCC3=NC(=NC(=N3)N)N)Cl

InChI

InChI=1S/C12H12ClN5O2S/c13-7-1-6(2-8-10(7)20-5-19-8)3-21-4-9-16-11(14)18-12(15)17-9/h1-2H,3-5H2,(H4,14,15,16,17,18)