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

Systemtic Name: 2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Openeye Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone CAS Name: 2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-1-(4-ethyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]-1-(4-ethylpiperazino)ethanone Formula: C16H26ClN5OS MolecularWeight: 371.92854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N(CC)CC

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N(CC)CC

InChI

InChI=1S/C16H26ClN5OS/c1-4-20-7-9-22(10-8-20)15(23)12-24-16-18-13(17)11-14(19-16)21(5-2)6-3/h11H,4-10,12H2,1-3H3