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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H24ClN5O2S/c1-14-2-6-16(7-3-14)23-19(28)13-30-21-24-17(22)12-18(25-21)26-8-10-27(11-9-26)20(29)15-4-5-15/h2-3,6-7,12,15H,4-5,8-11,13H2,1H3,(H,23,28)