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

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-1-[4-(2-ethoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]-1-(4-o-phenetylpiperazino)ethanone Formula: C22H28ClN5O2S MolecularWeight: 462.00802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C22H28ClN5O2S/c1-2-30-18-8-4-3-7-17(18)26-11-13-28(14-12-26)21(29)16-31-22-24-19(23)15-20(25-22)27-9-5-6-10-27/h3-4,7-8,15H,2,5-6,9-14,16H2,1H3