1-[4-[4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzoyl]piperazino]ethanone Formula: C22H26ClN5O2S MolecularWeight: 459.99214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C22H26ClN5O2S/c1-16(29)26-10-12-28(13-11-26)21(30)18-6-4-17(5-7-18)15-31-22-24-19(23)14-20(25-22)27-8-2-3-9-27/h4-7,14H,2-3,8-13,15H2,1H3