3-[[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 3-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 3-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 3-[[[4-chloro-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C25H25ClFN5OS MolecularWeight: 498.015303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C25H25ClFN5OS/c26-22-15-23(32-12-10-31(11-13-32)21-7-2-1-6-20(21)27)30-25(29-22)34-16-17-4-3-5-18(14-17)24(33)28-19-8-9-19/h1-7,14-15,19H,8-13,16H2,(H,28,33)