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

Systemtic Name: [4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[5-(2-chloro-6-fluoro-benzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C23H24ClFN4OS MolecularWeight: 458.979263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC=CS3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC=CS3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H24ClFN4OS/c1-3-20-17(14-16-18(24)6-4-7-19(16)25)22(27-15(2)26-20)28-9-11-29(12-10-28)23(30)21-8-5-13-31-21/h4-8,13H,3,9-12,14H2,1-2H3