6,8-bis(4-fluorophenyl)-1-methyl-2-piperazin-1-yl-3-propylsulfanyl-2H-purine

Systemtic Name: 6,8-bis(4-fluorophenyl)-1-methyl-2-piperazin-1-yl-3-propylsulfanyl-2H-purine Openeye Name: 6,8-bis(4-fluorophenyl)-1-methyl-2-piperazin-1-yl-3-propylsulfanyl-2H-purine CAS Name: 6,8-bis(4-fluorophenyl)-1-methyl-2-(1-piperazinyl)-3-(propylthio)-2H-purine IUPAC Name: 6,8-bis(4-fluorophenyl)-1-methyl-2-piperazin-1-yl-3-propylsulfanyl-2H-purine Traditional Name: 6,8-bis(4-fluorophenyl)-1-methyl-2-piperazino-3-(propylthio)-2H-purine Formula: C25H28F2N6S MolecularWeight: 482.591826

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C(N(C(=C2C1=NC(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C)N5CCNCC5

Isomeric SMILES

CCCSN1C(N(C(=C2C1=NC(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C)N5CCNCC5

InChI

InChI=1S/C25H28F2N6S/c1-3-16-34-33-24-21(29-23(30-24)18-6-10-20(27)11-7-18)22(17-4-8-19(26)9-5-17)31(2)25(33)32-14-12-28-13-15-32/h4-11,25,28H,3,12-16H2,1-2H3