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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-1-[4-(2-ethoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-1-(4-o-phenetylpiperazino)ethanone Formula: C28H37ClN6O3S MolecularWeight: 573.14978

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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)C5CCCC5

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C(=O)C5CCCC5

InChI

InChI=1S/C28H37ClN6O3S/c1-2-38-23-10-6-5-9-22(23)32-11-15-34(16-12-32)26(36)20-39-28-30-24(29)19-25(31-28)33-13-17-35(18-14-33)27(37)21-7-3-4-8-21/h5-6,9-10,19,21H,2-4,7-8,11-18,20H2,1H3