[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[6-ethyl-5-(4-fluorobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C28H27FN4OS MolecularWeight: 486.603583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=CC=C(C=C5)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FN4OS/c1-2-24-23(19-20-10-12-22(29)13-11-20)27(31-26(30-24)21-7-4-3-5-8-21)32-14-16-33(17-15-32)28(34)25-9-6-18-35-25/h3-13,18H,2,14-17,19H2,1H3