8-[2-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-propylsulfanyl-7H-purin-2-one

Systemtic Name: 8-[2-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-propylsulfanyl-7H-purin-2-one Openeye Name: 8-[2-[bis(4-fluorophenyl)methylene]-1-piperidyl]-3-propylsulfanyl-7H-purin-2-one CAS Name: 8-[2-[bis(4-fluorophenyl)methylidene]-1-piperidinyl]-3-(propylthio)-7H-purin-2-one IUPAC Name: 8-[2-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-propylsulfanyl-7H-purin-2-one Traditional Name: 8-[2-[bis(4-fluorophenyl)methylene]piperidino]-3-(propylthio)-7H-purin-2-one Formula: C26H25F2N5OS MolecularWeight: 493.571406

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=C(C=NC1=O)NC(=N2)N3CCCCC3=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CCCSN1C2=C(C=NC1=O)NC(=N2)N3CCCCC3=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H25F2N5OS/c1-2-15-35-33-24-21(16-29-26(33)34)30-25(31-24)32-14-4-3-5-22(32)23(17-6-10-19(27)11-7-17)18-8-12-20(28)13-9-18/h6-13,16H,2-5,14-15H2,1H3,(H,30,31)