N-(3-fluoranyl-4-methyl-phenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]acetamide Formula: C23H24FN5OS MolecularWeight: 437.532963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4)F

InChI

InChI=1S/C23H24FN5OS/c1-17-7-8-18(13-20(17)24)27-22(30)15-31-23-14-21(25-16-26-23)29-11-9-28(10-12-29)19-5-3-2-4-6-19/h2-8,13-14,16H,9-12,15H2,1H3,(H,27,30)