(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-ethynyl-cyclopent-3-ene-1,2-diol

Systemtic Name: (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-ethynyl-cyclopent-3-ene-1,2-diol Openeye Name: (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-ethynyl-cyclopent-3-ene-1,2-diol CAS Name: (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-ethynylcyclopent-3-ene-1,2-diol IUPAC Name: (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-ethynylcyclopent-3-ene-1,2-diol Traditional Name: (1S,2R,5R)-5-adenin-9-yl-3-ethynyl-cyclopent-3-ene-1,2-diol Formula: C12H11N5O2 MolecularWeight: 257.24804

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(C(C1O)O)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

C#CC1=C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H11N5O2/c1-2-6-3-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h1,3-5,7,9-10,18-19H,(H2,13,14,15)/t7-,9-,10+/m1/s1