2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)N2CCN(CC2)C3=NC=CC=N3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)N2CCN(CC2)C3=NC=CC=N3)OC)OC

InChI

InChI=1S/C20H26N4O3S/c1-15-11-17(26-2)18(27-3)12-16(15)13-28-14-19(25)23-7-9-24(10-8-23)20-21-5-4-6-22-20/h4-6,11-12H,7-10,13-14H2,1-3H3