2-[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-[(E)-cinnamyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[4-chloro-6-[4-[(E)-cinnamyl]piperazino]pyrimidin-2-yl]thio]-N-cyclopropyl-acetamide Formula: C22H26ClN5OS MolecularWeight: 443.99274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H26ClN5OS/c23-19-15-20(26-22(25-19)30-16-21(29)24-18-8-9-18)28-13-11-27(12-14-28)10-4-7-17-5-2-1-3-6-17/h1-7,15,18H,8-14,16H2,(H,24,29)/b7-4+