1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-2H-purin-2-ol

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-2H-purin-2-ol Openeye Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-2H-purin-2-ol CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-(propylthio)-2H-purin-2-ol IUPAC Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-2H-purin-2-ol Traditional Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazino]-3-(propylthio)-2H-purin-2-ol Formula: C25H28F2N6OS MolecularWeight: 498.591226

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C(N(C=C2C1=NC=N2)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O

Isomeric SMILES

CCCSN1C(N(C=C2C1=NC=N2)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O

InChI

InChI=1S/C25H28F2N6OS/c1-2-15-35-33-24-22(28-17-29-24)16-32(25(33)34)31-13-11-30(12-14-31)23(18-3-7-20(26)8-4-18)19-5-9-21(27)10-6-19/h3-10,16-17,23,25,34H,2,11-15H2,1H3