3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(7H-purin-6-ylsulfanyl)propan-1-ol

Systemtic Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(7H-purin-6-ylsulfanyl)propan-1-ol Openeye Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(7H-purin-6-ylsulfanyl)propan-1-ol CAS Name: 3-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-1-(7H-purin-6-ylthio)-1-propanol IUPAC Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(7H-purin-6-ylsulfanyl)propan-1-ol Traditional Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazino]-1-(7H-purin-6-ylthio)propan-1-ol Formula: C25H26F2N6OS MolecularWeight: 496.575346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(O)SC2=NC=NC3=C2NC=N3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CCC(O)SC2=NC=NC3=C2NC=N3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H26F2N6OS/c26-19-5-1-17(2-6-19)23(18-3-7-20(27)8-4-18)33-13-11-32(12-14-33)10-9-21(34)35-25-22-24(29-15-28-22)30-16-31-25/h1-8,15-16,21,23,34H,9-14H2,(H,28,29,30,31)