4-[(4-tert-butylphenyl)methylsulfanyl]-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylate Openeye Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[(4-tert-butylphenyl)methylthio]-2-(4-fluorophenyl)-6-methyl-5-pyrimidinecarboxylate IUPAC Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[(4-tert-butylbenzyl)thio]-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylate Formula: C23H22FN2O2S- MolecularWeight: 409.496383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)F)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)F)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C23H23FN2O2S/c1-14-19(22(27)28)21(26-20(25-14)16-7-11-18(24)12-8-16)29-13-15-5-9-17(10-6-15)23(2,3)4/h5-12H,13H2,1-4H3,(H,27,28)/p-1