2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone Openeye Name: 2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone CAS Name: 2-[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]-1-(2,6-dimethyl-4-morpholinyl)ethanone IUPAC Name: 2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone Traditional Name: 2-[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]-1-(2,6-dimethylmorpholino)ethanone Formula: C18H28ClN5O2S MolecularWeight: 413.96522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CC(OC(C3)C)C)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CC(OC(C3)C)C)Cl

InChI

InChI=1S/C18H28ClN5O2S/c1-4-22-5-7-23(8-6-22)16-9-15(19)20-18(21-16)27-12-17(25)24-10-13(2)26-14(3)11-24/h9,13-14H,4-8,10-12H2,1-3H3