1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazino]-2-(2-thienyl)ethanone Formula: C24H27FN4OS MolecularWeight: 438.560783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC3=CC=CS3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC3=CC=CS3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C24H27FN4OS/c1-3-22-21(15-18-6-4-7-19(25)14-18)24(27-17(2)26-22)29-11-9-28(10-12-29)23(30)16-20-8-5-13-31-20/h4-8,13-14H,3,9-12,15-16H2,1-2H3