9-pent-4-ynyl-8-[2-(trifluoromethyloxy)phenyl]sulfanyl-purin-6-amine

Systemtic Name: 9-pent-4-ynyl-8-[2-(trifluoromethyloxy)phenyl]sulfanyl-purin-6-amine Openeye Name: 9-pent-4-ynyl-8-[2-(trifluoromethoxy)phenyl]sulfanyl-purin-6-amine CAS Name: 9-pent-4-ynyl-8-[[2-(trifluoromethoxy)phenyl]thio]-6-purinamine IUPAC Name: 9-pent-4-ynyl-8-[2-(trifluoromethoxy)phenyl]sulfanylpurin-6-amine Traditional Name: [9-pent-4-ynyl-8-[[2-(trifluoromethoxy)phenyl]thio]purin-6-yl]amine Formula: C17H14F3N5OS MolecularWeight: 393.38617

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C17H14F3N5OS/c1-2-3-6-9-25-15-13(14(21)22-10-23-15)24-16(25)27-12-8-5-4-7-11(12)26-17(18,19)20/h1,4-5,7-8,10H,3,6,9H2,(H2,21,22,23)