2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-1-[4-(2-ethoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]-1-(4-o-phenetylpiperazino)ethanone Formula: C26H33ClN6O3S MolecularWeight: 545.09662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C26H33ClN6O3S/c1-2-36-21-6-4-3-5-20(21)30-9-13-32(14-10-30)24(34)18-37-26-28-22(27)17-23(29-26)31-11-15-33(16-12-31)25(35)19-7-8-19/h3-6,17,19H,2,7-16,18H2,1H3