4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-6-chloranyl-2-methylsulfanyl-5-phenyl-pyrimidine

Systemtic Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-6-chloranyl-2-methylsulfanyl-5-phenyl-pyrimidine Openeye Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-6-chloro-2-methylsulfanyl-5-phenyl-pyrimidine CAS Name: 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-6-chloro-2-(methylthio)-5-phenylpyrimidine IUPAC Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-6-chloro-2-methylsulfanyl-5-phenylpyrimidine Traditional Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazino]-6-chloro-2-(methylthio)-5-phenyl-pyrimidine Formula: C28H25ClF2N4S MolecularWeight: 523.039706

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)C2=CC=CC=C2)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)C2=CC=CC=C2)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H25ClF2N4S/c1-36-28-32-26(29)24(19-5-3-2-4-6-19)27(33-28)35-17-15-34(16-18-35)25(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,25H,15-18H2,1H3