[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N,N-dimethylsulfamate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N,N-dimethylsulfamate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N,N-dimethylsulfamate CAS Name: N,N-dimethylsulfamic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] N,N-dimethylsulfamate Traditional Name: N,N-dimethylsulfamic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CN(C)S(=O)(=O)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C19H20N4O3S2/c1-23(2)28(24,25)26-16-11-7-10-15(12-16)20-18-13-17(21-19(22-18)27-3)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,20,21,22)