2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethanone CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)methylthio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(4,6-dimethoxypyrimidin-2-yl)methylthio]ethanone Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)CSCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)CSCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H26N4O3S/c1-26-18-12-19(27-2)22-17(21-18)14-28-15-20(25)24-10-8-23(9-11-24)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13-15H2,1-2H3