3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-propanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propan-1-one Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H28N4O2S/c1-15-20(16(2)24-22(23-15)29-4)9-10-21(28)26-13-11-25(12-14-26)19-7-5-18(6-8-19)17(3)27/h5-8H,9-14H2,1-4H3