dimethyl 5-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC)C(=O)OC

InChI

InChI=1S/C21H19N3O4S/c1-27-19(25)14-9-15(20(26)28-2)11-16(10-14)22-18-12-17(23-21(24-18)29-3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23,24)