1-[bis(4-fluorophenyl)methyl]-8-piperazin-1-yl-3-propylsulfanyl-2H-purin-2-ol

Systemtic Name: 1-[bis(4-fluorophenyl)methyl]-8-piperazin-1-yl-3-propylsulfanyl-2H-purin-2-ol Openeye Name: 1-[bis(4-fluorophenyl)methyl]-8-piperazin-1-yl-3-propylsulfanyl-2H-purin-2-ol CAS Name: 1-[bis(4-fluorophenyl)methyl]-8-(1-piperazinyl)-3-(propylthio)-2H-purin-2-ol IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-8-piperazin-1-yl-3-propylsulfanyl-2H-purin-2-ol Traditional Name: 1-[bis(4-fluorophenyl)methyl]-8-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)N3CCNCC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O

Isomeric SMILES

CCCSN1C(N(C=C2C1=NC(=N2)N3CCNCC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O

InChI

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