sulfo 2-[[4,6-bis(methylsulfanyl)pyrimidin-2-yl]amino]-6-phenyl-benzenesulfonate

Systemtic Name: sulfo 2-[[4,6-bis(methylsulfanyl)pyrimidin-2-yl]amino]-6-phenyl-benzenesulfonate Openeye Name: sulfo 2-[[4,6-bis(methylsulfanyl)pyrimidin-2-yl]amino]-6-phenyl-benzenesulfonate CAS Name: 2-[[4,6-bis(methylthio)-2-pyrimidinyl]amino]-6-phenylbenzenesulfonic acid sulfo ester IUPAC Name: sulfo 2-[[4,6-bis(methylsulfanyl)pyrimidin-2-yl]amino]-6-phenylbenzenesulfonate Traditional Name: 2-[[4,6-bis(methylthio)pyrimidin-2-yl]amino]-6-phenyl-benzenesulfonic acid sulfo ester Formula: C18H17N3O6S4 MolecularWeight: 499.60408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=NC(=N1)NC2=CC=CC(=C2S(=O)(=O)OS(=O)(=O)O)C3=CC=CC=C3)SC

Isomeric SMILES

CSC1=CC(=NC(=N1)NC2=CC=CC(=C2S(=O)(=O)OS(=O)(=O)O)C3=CC=CC=C3)SC

InChI

InChI=1S/C18H17N3O6S4/c1-28-15-11-16(29-2)21-18(20-15)19-14-10-6-9-13(12-7-4-3-5-8-12)17(14)30(22,23)27-31(24,25)26/h3-11H,1-2H3,(H,19,20,21)(H,24,25,26)