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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C=NC(=C2C1=NC=N2)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CCCSN1C=NC(=C2C1=NC=N2)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H26F2N6S/c1-2-15-34-33-17-30-24(22-25(33)29-16-28-22)32-13-11-31(12-14-32)23(18-3-7-20(26)8-4-18)19-5-9-21(27)10-6-19/h3-10,16-17,23H,2,11-15H2,1H3