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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]ethanone Formula: C21H29ClN6O3S MolecularWeight: 481.01136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C(=O)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C(=O)C)Cl

InChI

InChI=1S/C21H29ClN6O3S/c1-14-12-27(9-10-28(14)20(31)16-3-4-16)18-11-17(22)23-21(24-18)32-13-19(30)26-7-5-25(6-8-26)15(2)29/h11,14,16H,3-10,12-13H2,1-2H3