2-[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-dipropyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-dipropyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-dipropyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N,N-dipropylacetamide IUPAC Name: 2-[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-dipropylacetamide Traditional Name: 2-[[4-chloro-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]-N,N-dipropyl-acetamide Formula: C22H29ClFN5OS MolecularWeight: 466.014963

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCCN(CCC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C22H29ClFN5OS/c1-3-9-29(10-4-2)21(30)16-31-22-25-19(23)15-20(26-22)28-13-11-27(12-14-28)18-8-6-5-7-17(18)24/h5-8,15H,3-4,9-14,16H2,1-2H3