6-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propylsulfanyl]-7H-purine

Systemtic Name: 6-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propylsulfanyl]-7H-purine Openeye Name: 6-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propylsulfanyl]-7H-purine CAS Name: 6-[3-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]propylthio]-7H-purine IUPAC Name: 6-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propylsulfanyl]-7H-purine Traditional Name: 6-[3-[4-[bis(4-fluorophenyl)methyl]piperazino]propylthio]-7H-purine Formula: C25H26F2N6S MolecularWeight: 480.575946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC=NC3=C2NC=N3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CCCSC2=NC=NC3=C2NC=N3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H26F2N6S/c26-20-6-2-18(3-7-20)23(19-4-8-21(27)9-5-19)33-13-11-32(12-14-33)10-1-15-34-25-22-24(29-16-28-22)30-17-31-25/h2-9,16-17,23H,1,10-15H2,(H,28,29,30,31)