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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(4-benzoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[4-(4-benzoyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[4-(4-benzoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[4-(4-benzoyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-cyclopropyl-acetamide Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NC4CC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NC4CC4)Cl

InChI

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