tert-butyl 4-[4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)thiazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-(3-fluorophenyl)-5-[2-(methylthio)-4-pyrimidinyl]-2-thiazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-fluorophenyl)-5-[2-(methylthio)pyrimidin-4-yl]thiazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H26FN5O2S2 MolecularWeight: 487.613243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=C(S2)C3=NC(=NC=C3)SC)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=C(S2)C3=NC(=NC=C3)SC)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H26FN5O2S2/c1-23(2,3)31-22(30)29-12-10-28(11-13-29)21-27-18(15-6-5-7-16(24)14-15)19(33-21)17-8-9-25-20(26-17)32-4/h5-9,14H,10-13H2,1-4H3