8-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfanyl-9-pent-4-ynyl-purin-6-amine

Systemtic Name: 8-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfanyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[[2-chloro-5-(trifluoromethyl)phenyl]thio]-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-9-pent-4-ynylpurin-6-amine Traditional Name: [8-[[2-chloro-5-(trifluoromethyl)phenyl]thio]-9-pent-4-ynyl-purin-6-yl]amine Formula: C17H13ClF3N5S MolecularWeight: 411.83183

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H13ClF3N5S/c1-2-3-4-7-26-15-13(14(22)23-9-24-15)25-16(26)27-12-8-10(17(19,20)21)5-6-11(12)18/h1,5-6,8-9H,3-4,7H2,(H2,22,23,24)