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

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(9-prop-2-enylpurin-6-yl)sulfanyl-propan-2-ol Openeye Name: 1-(9-allylpurin-6-yl)sulfanyl-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-[(9-prop-2-enyl-6-purinyl)thio]-2-propanol IUPAC Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(9-prop-2-enylpurin-6-yl)sulfanylpropan-2-ol Traditional Name: 1-[(9-allylpurin-6-yl)thio]-3-[4-[bis(4-fluorophenyl)methyl]piperazino]propan-2-ol Formula: C28H30F2N6OS MolecularWeight: 536.639206

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC2=C1N=CN=C2SCC(CN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O

Isomeric SMILES

C=CCN1C=NC2=C1N=CN=C2SCC(CN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O

InChI

InChI=1S/C28H30F2N6OS/c1-2-11-36-19-33-25-27(36)31-18-32-28(25)38-17-24(37)16-34-12-14-35(15-13-34)26(20-3-7-22(29)8-4-20)21-5-9-23(30)10-6-21/h2-10,18-19,24,26,37H,1,11-17H2