2-[(3-chloranyl-2-fluoranyl-phenyl)amino]-5-ethynyl-2-purin-9-yl-oxolane-3,4-diol

Systemtic Name: 2-[(3-chloranyl-2-fluoranyl-phenyl)amino]-5-ethynyl-2-purin-9-yl-oxolane-3,4-diol Openeye Name: 2-(3-chloro-2-fluoro-anilino)-5-ethynyl-2-purin-9-yl-tetrahydrofuran-3,4-diol CAS Name: 2-(3-chloro-2-fluoroanilino)-5-ethynyl-2-(9-purinyl)oxolane-3,4-diol IUPAC Name: 2-(3-chloro-2-fluoroanilino)-5-ethynyl-2-purin-9-yloxolane-3,4-diol Traditional Name: 2-(3-chloro-2-fluoro-anilino)-5-ethynyl-2-purin-9-yl-tetrahydrofuran-3,4-diol Formula: C17H13ClFN5O3 MolecularWeight: 389.768223

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1C(C(C(O1)(NC2=C(C(=CC=C2)Cl)F)N3C=NC4=CN=CN=C43)O)O

Isomeric SMILES

C#CC1C(C(C(O1)(NC2=C(C(=CC=C2)Cl)F)N3C=NC4=CN=CN=C43)O)O

InChI

InChI=1S/C17H13ClFN5O3/c1-2-12-14(25)15(26)17(27-12,23-10-5-3-4-9(18)13(10)19)24-8-22-11-6-20-7-21-16(11)24/h1,3-8,12,14-15,23,25-26H