3-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-benzamide

Systemtic Name: 3-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-benzamide Openeye Name: 3-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-morpholino-benzamide CAS Name: 3-[[[4-ethyl-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(4-morpholinyl)benzamide IUPAC Name: 3-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylbenzamide Traditional Name: 3-[[[4-ethyl-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-morpholino-benzamide Formula: C28H33FN6O2S MolecularWeight: 536.664023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NN3CCOCC3)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NN3CCOCC3)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C28H33FN6O2S/c1-2-23-19-26(34-12-10-33(11-13-34)25-9-4-3-8-24(25)29)31-28(30-23)38-20-21-6-5-7-22(18-21)27(36)32-35-14-16-37-17-15-35/h3-9,18-19H,2,10-17,20H2,1H3,(H,32,36)