1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]-1-(4-piperonylpiperazino)ethanone Formula: C23H28ClN5O3S MolecularWeight: 490.01812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C23H28ClN5O3S/c24-20-13-21(28-6-2-1-3-7-28)26-23(25-20)33-15-22(30)29-10-8-27(9-11-29)14-17-4-5-18-19(12-17)32-16-31-18/h4-5,12-13H,1-3,6-11,14-16H2