1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-[3-(methylthio)phenyl]-3-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-[3-(methylthio)phenyl]pyrrol-3-yl]-2-[4-(2-pyrimidyl)piperazino]ethanone Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H27N5OS/c1-17-14-21(18(2)28(17)19-6-4-7-20(15-19)30-3)22(29)16-26-10-12-27(13-11-26)23-24-8-5-9-25-23/h4-9,14-15H,10-13,16H2,1-3H3