N-[4-[bis(fluoranyl)methoxy]phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[4-[bis(fluoranyl)methoxy]phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[4-(difluoromethoxy)phenyl]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[4-(difluoromethoxy)phenyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[4-(difluoromethoxy)phenyl]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[4-(difluoromethoxy)phenyl]-2-(7H-purin-6-ylthio)acetamide Formula: C14H11F2N5O2S MolecularWeight: 351.331246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC=NC3=C2NC=N3)OC(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC=NC3=C2NC=N3)OC(F)F

InChI

InChI=1S/C14H11F2N5O2S/c15-14(16)23-9-3-1-8(2-4-9)21-10(22)5-24-13-11-12(18-6-17-11)19-7-20-13/h1-4,6-7,14H,5H2,(H,21,22)(H,17,18,19,20)