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

Systemtic Name: [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)methanone Openeye Name: [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)methanone CAS Name: [4-(4-fluorophenyl)-1-piperazinyl]-[2-(methylthio)-4-phenyl-5-pyrimidinyl]methanone IUPAC Name: [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenylpyrimidin-5-yl)methanone Traditional Name: [4-(4-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=C(C=C4)F

Isomeric SMILES

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

InChI

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