1-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Openeye Name: 1-[4-[bis(4-fluorophenyl)methylene]-1-piperidyl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol CAS Name: 1-[4-[bis(4-fluorophenyl)methylidene]-1-piperidinyl]-3-(7H-purin-6-ylthio)-2-propanol IUPAC Name: 1-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Traditional Name: 1-[4-[bis(4-fluorophenyl)methylene]piperidino]-3-(7H-purin-6-ylthio)propan-2-ol Formula: C26H25F2N5OS MolecularWeight: 493.571406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CSC4=NC=NC5=C4NC=N5)O

Isomeric SMILES

C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CSC4=NC=NC5=C4NC=N5)O

InChI

InChI=1S/C26H25F2N5OS/c27-20-5-1-17(2-6-20)23(18-3-7-21(28)8-4-18)19-9-11-33(12-10-19)13-22(34)14-35-26-24-25(30-15-29-24)31-16-32-26/h1-8,15-16,22,34H,9-14H2,(H,29,30,31,32)