2-(trichloromethylsulfanylsulfonyl)pyrimidine-4,6-diamine

Systemtic Name: 2-(trichloromethylsulfanylsulfonyl)pyrimidine-4,6-diamine Openeye Name: 2-(trichloromethylsulfanylsulfonyl)pyrimidine-4,6-diamine CAS Name: 2-(trichloromethylthio)sulfonylpyrimidine-4,6-diamine IUPAC Name: 2-(trichloromethylsulfanylsulfonyl)pyrimidine-4,6-diamine Traditional Name: [6-amino-2-(trichloromethylthio)sulfonyl-pyrimidin-4-yl]amine Formula: C5H5Cl3N4O2S2 MolecularWeight: 323.6078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(N=C1N)S(=O)(=O)SC(Cl)(Cl)Cl)N

Isomeric SMILES

C1=C(N=C(N=C1N)S(=O)(=O)SC(Cl)(Cl)Cl)N

InChI

InChI=1S/C5H5Cl3N4O2S2/c6-5(7,8)15-16(13,14)4-11-2(9)1-3(10)12-4/h1H,(H4,9,10,11,12)