2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-(4-ethyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-(4-ethylpiperazino)ethanone Formula: C21H31ClN6O2S MolecularWeight: 467.02784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4CC4

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4CC4

InChI

InChI=1S/C21H31ClN6O2S/c1-3-25-6-8-26(9-7-25)19(29)14-31-21-23-17(22)12-18(24-21)27-10-11-28(15(2)13-27)20(30)16-4-5-16/h12,15-16H,3-11,13-14H2,1-2H3