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

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(9-methylpurin-6-yl)sulfanyl-propan-2-ol Openeye Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(9-methylpurin-6-yl)sulfanyl-propan-2-ol CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-1-[(9-methyl-6-purinyl)thio]-2-propanol IUPAC Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(9-methylpurin-6-yl)sulfanylpropan-2-ol Traditional Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazino]-1-[(9-methylpurin-6-yl)thio]propan-2-ol Formula: C26H28F2N6OS MolecularWeight: 510.601926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)SC4=NC=NC5=C4N=CN5C)O

Isomeric SMILES

CC(C(N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)SC4=NC=NC5=C4N=CN5C)O

InChI

InChI=1S/C26H28F2N6OS/c1-17(35)26(36-25-22-24(29-15-30-25)32(2)16-31-22)34-13-11-33(12-14-34)23(18-3-7-20(27)8-4-18)19-5-9-21(28)10-6-19/h3-10,15-17,23,26,35H,11-14H2,1-2H3