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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-(3-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-[4-(3-methoxyphenyl)piperazino]propan-1-one Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-15-19(16(2)23-21(22-15)28-4)8-9-20(26)25-12-10-24(11-13-25)17-6-5-7-18(14-17)27-3/h5-7,14H,8-13H2,1-4H3