2-[4-chloranyl-6-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C28H37ClN6O3S MolecularWeight: 573.14978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5OC)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5OC)Cl

InChI

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