[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-thiophen-2-ylethanoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-thiophen-2-ylethanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(2-thienyl)acetate CAS Name: 2-thiophen-2-ylacetic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-thiophen-2-ylacetate Traditional Name: 2-(2-thienyl)acetic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C23H19N3O2S2 MolecularWeight: 433.54586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S2/c1-29-23-25-20(16-7-3-2-4-8-16)15-21(26-23)24-17-9-5-10-18(13-17)28-22(27)14-19-11-6-12-30-19/h2-13,15H,14H2,1H3,(H,24,25,26)