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

Systemtic Name: 4-[[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Openeye Name: 4-[[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide CAS Name: 4-[[[4,5-dimethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(4-fluorophenyl)benzamide IUPAC Name: 4-[[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Traditional Name: 4-[[[4,5-dimethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(4-fluorophenyl)benzamide Formula: C25H28FN5OS MolecularWeight: 465.586123

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H28FN5OS/c1-17-18(2)27-25(29-23(17)31-14-12-30(3)13-15-31)33-16-19-4-6-20(7-5-19)24(32)28-22-10-8-21(26)9-11-22/h4-11H,12-16H2,1-3H3,(H,28,32)