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

Systemtic Name: N-ethyl-3-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-ethyl-3-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-ethyl-3-[[[4-ethyl-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-ethyl-3-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-ethyl-3-[[[4-ethyl-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C26H30FN5OS MolecularWeight: 479.612703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C26H30FN5OS/c1-3-21-17-24(32-14-12-31(13-15-32)23-11-6-5-10-22(23)27)30-26(29-21)34-18-19-8-7-9-20(16-19)25(33)28-4-2/h5-11,16-17H,3-4,12-15,18H2,1-2H3,(H,28,33)