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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C25H32ClN5O2S MolecularWeight: 502.07188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)NC(C)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)NC(C)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H32ClN5O2S/c1-17(8-9-19-6-4-3-5-7-19)27-23(32)16-34-25-28-21(26)14-22(29-25)30-12-13-31(18(2)15-30)24(33)20-10-11-20/h3-7,14,17-18,20H,8-13,15-16H2,1-2H3,(H,27,32)