2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(1-phenylethyl)acetamide Formula: C22H26ClN5O2S MolecularWeight: 459.99214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H26ClN5O2S/c1-15(16-5-3-2-4-6-16)24-20(29)14-31-22-25-18(23)13-19(26-22)27-9-11-28(12-10-27)21(30)17-7-8-17/h2-6,13,15,17H,7-12,14H2,1H3,(H,24,29)