[2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-5-propan-2-yl-phenyl] thiohypobromite

Systemtic Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-5-propan-2-yl-phenyl] thiohypobromite Openeye Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-isopropyl-3-methylsulfanyl-phenyl] thiohypobromite CAS Name: thiohypobromous acid [2-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-(methylthio)-5-propan-2-ylphenyl] ester IUPAC Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-5-propan-2-ylphenyl] thiohypobromite Traditional Name: thiohypobromous acid [2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-isopropyl-3-(methylthio)phenyl] ester Formula: C16H20BrN3S2 MolecularWeight: 398.3841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=C(C=C(C=C2SBr)C(C)C)SC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=C(C=C(C=C2SBr)C(C)C)SC)C

InChI

InChI=1S/C16H20BrN3S2/c1-9(2)12-7-13(21-5)15(14(8-12)22-17)20-16-18-10(3)6-11(4)19-16/h6-9H,1-5H3,(H,18,19,20)