2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]ethanone Formula: C26H32ClN5O2S MolecularWeight: 514.08258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCC(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCC(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C26H32ClN5O2S/c27-22-17-23(30-12-14-32(15-13-30)25(34)21-6-7-21)29-26(28-22)35-18-24(33)31-10-8-20(9-11-31)16-19-4-2-1-3-5-19/h1-5,17,20-21H,6-16,18H2