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

Systemtic Name: (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-prop-1-ynyl-cyclopent-3-ene-1,2-diol Openeye Name: (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-prop-1-ynyl-cyclopent-3-ene-1,2-diol CAS Name: (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-prop-1-ynylcyclopent-3-ene-1,2-diol IUPAC Name: (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-prop-1-ynylcyclopent-3-ene-1,2-diol Traditional Name: (1S,2R,5R)-5-adenin-9-yl-3-prop-1-ynyl-cyclopent-3-ene-1,2-diol Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O2/c1-2-3-7-4-8(11(20)10(7)19)18-6-17-9-12(14)15-5-16-13(9)18/h4-6,8,10-11,19-20H,1H3,(H2,14,15,16)/t8-,10-,11+/m1/s1