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

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-1-[4-(2-ethoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-1-(4-o-phenetylpiperazino)ethanone Formula: C25H33ClN6O3S MolecularWeight: 533.08592

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN6O3S/c1-4-35-21-8-6-5-7-20(21)29-9-11-30(12-10-29)24(34)17-36-25-27-22(26)15-23(28-25)31-13-14-32(19(3)33)18(2)16-31/h5-8,15,18H,4,9-14,16-17H2,1-3H3