4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(phenylmethylsulfanyl)pyrimidine

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(phenylmethylsulfanyl)pyrimidine Openeye Name: 4-benzylsulfanyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-6-(phenylmethylthio)pyrimidine IUPAC Name: 4-benzylsulfanyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine Traditional Name: 4-(benzylthio)-6-[4-(2-fluorophenyl)piperazino]pyrimidine Formula: C21H21FN4S MolecularWeight: 380.481643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=CC(=NC=N3)SCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=CC(=NC=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H21FN4S/c22-18-8-4-5-9-19(18)25-10-12-26(13-11-25)20-14-21(24-16-23-20)27-15-17-6-2-1-3-7-17/h1-9,14,16H,10-13,15H2