N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-[3-[4-(4-fluorophenyl)piperazino]propyl]-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C25H28FN5OS MolecularWeight: 465.586123

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H28FN5OS/c1-33-25-28-18-22(23(29-25)19-6-3-2-4-7-19)24(32)27-12-5-13-30-14-16-31(17-15-30)21-10-8-20(26)9-11-21/h2-4,6-11,18H,5,12-17H2,1H3,(H,27,32)