4-[(4-fluorophenyl)methylsulfanyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-[(4-fluorophenyl)methylsulfanyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[(4-fluorophenyl)methylsulfanyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine CAS Name: 4-[(4-fluorophenyl)methylthio]-6-[4-(4-fluorophenyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-[(4-fluorophenyl)methylsulfanyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine Traditional Name: 4-[(4-fluorobenzyl)thio]-6-[4-(4-fluorophenyl)piperazino]pyrimidine Formula: C21H20F2N4S MolecularWeight: 398.472106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=CC(=NC=N3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=CC(=NC=N3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H20F2N4S/c22-17-3-1-16(2-4-17)14-28-21-13-20(24-15-25-21)27-11-9-26(10-12-27)19-7-5-18(23)6-8-19/h1-8,13,15H,9-12,14H2