2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-morpholinopropyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-[3-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(3-morpholinopropyl)acetamide Formula: C22H33ClN6O3S MolecularWeight: 497.05382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)NCCCN4CCOCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)NCCCN4CCOCC4)Cl

InChI

InChI=1S/C22H33ClN6O3S/c1-16-14-28(7-8-29(16)21(31)17-3-4-17)19-13-18(23)25-22(26-19)33-15-20(30)24-5-2-6-27-9-11-32-12-10-27/h13,16-17H,2-12,14-15H2,1H3,(H,24,30)