(1R,2R,3R,5R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)cycloheptane-1,2,5-triol

Systemtic Name: (1R,2R,3R,5R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)cycloheptane-1,2,5-triol Openeye Name: (1R,2R,3R,5R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)cycloheptane-1,2,5-triol CAS Name: (1R,2R,3R,5R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)cycloheptane-1,2,5-triol IUPAC Name: (1R,2R,3R,5R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)cycloheptane-1,2,5-triol Traditional Name: (1R,2R,3R,5R)-3-adenin-9-yl-1-methylol-cycloheptane-1,2,5-triol Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(CC1O)N2C=NC3=C2N=CN=C3N)O)(CO)O

Isomeric SMILES

C1C[C@]([C@@H]([C@@H](C[C@@H]1O)N2C=NC3=C2N=CN=C3N)O)(CO)O

InChI

InChI=1S/C13H19N5O4/c14-11-9-12(16-5-15-11)18(6-17-9)8-3-7(20)1-2-13(22,4-19)10(8)21/h5-8,10,19-22H,1-4H2,(H2,14,15,16)/t7-,8-,10-,13-/m1/s1