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

Systemtic Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one Openeye Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one CAS Name: 6-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-(propylthio)-7H-purin-2-one IUPAC Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one Traditional Name: 6-[4-[bis(4-fluorophenyl)methyl]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)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)NC=N2

Isomeric SMILES

CCCSN1C2=C(C(=NC1=O)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)NC=N2

InChI

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