2,5,6-tris(chloranyl)-N-[3-methyl-4-(trioxidanylsulfanyl)phenyl]pyrimidin-4-amine

Systemtic Name: 2,5,6-tris(chloranyl)-N-[3-methyl-4-(trioxidanylsulfanyl)phenyl]pyrimidin-4-amine Openeye Name: 2,5,6-trichloro-N-[3-methyl-4-(trioxidanylsulfanyl)phenyl]pyrimidin-4-amine CAS Name: 2-methyl-4-[(2,5,6-trichloro-4-pyrimidinyl)amino]benzenesulfenic acid hydroperoxy ester IUPAC Name: 2,5,6-trichloro-N-[3-methyl-4-(trioxidanylsulfanyl)phenyl]pyrimidin-4-amine Traditional Name: [3-methyl-4-(trioxidanylthio)phenyl]-(2,5,6-trichloropyrimidin-4-yl)amine Formula: C11H8Cl3N3O3S MolecularWeight: 368.62352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C(=NC(=N2)Cl)Cl)Cl)SOOO

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C(=NC(=N2)Cl)Cl)Cl)SOOO

InChI

InChI=1S/C11H8Cl3N3O3S/c1-5-4-6(2-3-7(5)21-20-19-18)15-10-8(12)9(13)16-11(14)17-10/h2-4,18H,1H3,(H,15,16,17)