[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)methanone

Systemtic Name: [4-(2-fluorophenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)methanone Openeye Name: [4-(2-fluorophenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)methanone CAS Name: [4-(2-fluorophenyl)-1-piperazinyl]-[2-(methylthio)-4-phenyl-5-pyrimidinyl]methanone IUPAC Name: [4-(2-fluorophenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenylpyrimidin-5-yl)methanone Traditional Name: [4-(2-fluorophenyl)piperazino]-[2-(methylthio)-4-phenyl-pyrimidin-5-yl]methanone Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H21FN4OS/c1-29-22-24-15-17(20(25-22)16-7-3-2-4-8-16)21(28)27-13-11-26(12-14-27)19-10-6-5-9-18(19)23/h2-10,15H,11-14H2,1H3