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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-propanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propan-1-one Formula: C21H27ClN4OS MolecularWeight: 418.98328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C21H27ClN4OS/c1-14-5-6-17(22)13-19(14)25-9-11-26(12-10-25)20(27)8-7-18-15(2)23-21(28-4)24-16(18)3/h5-6,13H,7-12H2,1-4H3