4-[[4-(4-ethanoylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide

Systemtic Name: 4-[[4-(4-ethanoylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Openeye Name: 4-[[4-(4-acetylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide CAS Name: 4-[[[4-(4-acetyl-1-piperazinyl)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]-N-(4-fluorophenyl)benzamide IUPAC Name: 4-[[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Traditional Name: 4-[[[4-(4-acetylpiperazino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-(4-fluorophenyl)benzamide Formula: C26H28FN5O2S MolecularWeight: 493.596223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)C)SCC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)C)SCC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H28FN5O2S/c1-17-18(2)28-26(30-24(17)32-14-12-31(13-15-32)19(3)33)35-16-20-4-6-21(7-5-20)25(34)29-23-10-8-22(27)9-11-23/h4-11H,12-16H2,1-3H3,(H,29,34)