4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(pyridin-3-ylmethylsulfanyl)pyrimidine

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(pyridin-3-ylmethylsulfanyl)pyrimidine Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(3-pyridylmethylsulfanyl)pyrimidine CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-6-(3-pyridinylmethylthio)pyrimidine IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(pyridin-3-ylmethylsulfanyl)pyrimidine Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-6-(3-pyridylmethylthio)pyrimidine Formula: C20H20FN5S MolecularWeight: 381.469703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN5S/c21-17-3-5-18(6-4-17)25-8-10-26(11-9-25)19-12-20(24-15-23-19)27-14-16-2-1-7-22-13-16/h1-7,12-13,15H,8-11,14H2