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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-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]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-[4-(2-ethoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-(4-o-phenetylpiperazino)ethanone Formula: C27H35ClN6O3S MolecularWeight: 559.1232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)Cl)N4CCN(C(C4)C)C(=O)C5CC5

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)Cl)N4CCN(C(C4)C)C(=O)C5CC5

InChI

InChI=1S/C27H35ClN6O3S/c1-3-37-22-7-5-4-6-21(22)31-10-12-32(13-11-31)25(35)18-38-27-29-23(28)16-24(30-27)33-14-15-34(19(2)17-33)26(36)20-8-9-20/h4-7,16,19-20H,3,8-15,17-18H2,1-2H3