N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-7H-purin-6-amine

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-7H-purin-6-amine Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-7H-purin-6-amine CAS Name: N-[4-(difluoromethylthio)phenyl]-7H-purin-6-amine IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-7H-purin-6-amine Traditional Name: [4-(difluoromethylthio)phenyl]-(7H-purin-6-yl)amine Formula: C12H9F2N5S MolecularWeight: 293.295166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=NC3=C2NC=N3)SC(F)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=NC3=C2NC=N3)SC(F)F

InChI

InChI=1S/C12H9F2N5S/c13-12(14)20-8-3-1-7(2-4-8)19-11-9-10(16-5-15-9)17-6-18-11/h1-6,12H,(H2,15,16,17,18,19)