2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]ethanone Formula: C16H22ClN5O2S MolecularWeight: 383.89618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

InChI

InChI=1S/C16H22ClN5O2S/c1-12(23)20-6-8-22(9-7-20)15(24)11-25-16-18-13(17)10-14(19-16)21-4-2-3-5-21/h10H,2-9,11H2,1H3