1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)OC)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)OC)OC)C

InChI

InChI=1S/C21H28N4O3S/c1-15-11-16(2)23-21(22-15)29-14-20(26)25-9-7-24(8-10-25)13-17-12-18(27-3)5-6-19(17)28-4/h5-6,11-12H,7-10,13-14H2,1-4H3