[2-[[4,6-bis(methylsulfanyl)pyrimidin-2-yl]amino]-6-phenyl-phenyl]sulfonyl sulfate

Systemtic Name: [2-[[4,6-bis(methylsulfanyl)pyrimidin-2-yl]amino]-6-phenyl-phenyl]sulfonyl sulfate Openeye Name: [2-[[4,6-bis(methylsulfanyl)pyrimidin-2-yl]amino]-6-phenyl-phenyl]sulfonyl sulfate CAS Name: [2-[[4,6-bis(methylthio)-2-pyrimidinyl]amino]-6-phenylphenyl]sulfonyl sulfate IUPAC Name: [2-[[4,6-bis(methylsulfanyl)pyrimidin-2-yl]amino]-6-phenylphenyl]sulfonyl sulfate Traditional Name: [2-[[4,6-bis(methylthio)pyrimidin-2-yl]amino]-6-phenyl-phenyl]sulfonyl sulfate Formula: C18H16N3O6S4- MolecularWeight: 498.59614

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)/p-1