8-[bis(4-fluorophenyl)methyl]-6-piperazin-1-yl-3-propylsulfanyl-7H-purin-2-one

Systemtic Name: 8-[bis(4-fluorophenyl)methyl]-6-piperazin-1-yl-3-propylsulfanyl-7H-purin-2-one Openeye Name: 8-[bis(4-fluorophenyl)methyl]-6-piperazin-1-yl-3-propylsulfanyl-7H-purin-2-one CAS Name: 8-[bis(4-fluorophenyl)methyl]-6-(1-piperazinyl)-3-(propylthio)-7H-purin-2-one IUPAC Name: 8-[bis(4-fluorophenyl)methyl]-6-piperazin-1-yl-3-propylsulfanyl-7H-purin-2-one Traditional Name: 8-[bis(4-fluorophenyl)methyl]-6-piperazino-3-(propylthio)-7H-purin-2-one Formula: C25H26F2N6OS MolecularWeight: 496.575346

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=C(C(=NC1=O)N3CCNCC3)NC(=N2)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CCCSN1C2=C(C(=NC1=O)N3CCNCC3)NC(=N2)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H26F2N6OS/c1-2-15-35-33-24-21(23(31-25(33)34)32-13-11-28-12-14-32)29-22(30-24)20(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,20,28H,2,11-15H2,1H3,(H,29,30)