1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(9-phenylpurin-6-yl)sulfanyl-propan-2-ol

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(9-phenylpurin-6-yl)sulfanyl-propan-2-ol Openeye Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(9-phenylpurin-6-yl)sulfanyl-propan-2-ol CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-[(9-phenyl-6-purinyl)thio]-2-propanol IUPAC Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(9-phenylpurin-6-yl)sulfanylpropan-2-ol Traditional Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazino]-3-[(9-phenylpurin-6-yl)thio]propan-2-ol Formula: C31H30F2N6OS MolecularWeight: 572.671306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CSC2=NC=NC3=C2N=CN3C4=CC=CC=C4)O)C(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCN1CC(CSC2=NC=NC3=C2N=CN3C4=CC=CC=C4)O)C(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

InChI

InChI=1S/C31H30F2N6OS/c32-24-10-6-22(7-11-24)29(23-8-12-25(33)13-9-23)38-16-14-37(15-17-38)18-27(40)19-41-31-28-30(34-20-35-31)39(21-36-28)26-4-2-1-3-5-26/h1-13,20-21,27,29,40H,14-19H2