2-[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]ethanone Formula: C19H28ClN5O2S MolecularWeight: 425.97592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N(C)C3CCCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N(C)C3CCCCC3

InChI

InChI=1S/C19H28ClN5O2S/c1-14(26)24-8-10-25(11-9-24)18(27)13-28-19-21-16(20)12-17(22-19)23(2)15-6-4-3-5-7-15/h12,15H,3-11,13H2,1-2H3