[(1S,2R,4R,5R)-2-(6-chloranylpurin-9-yl)-4-bicyclo[3.1.0]hexanyl] ethanoate

Systemtic Name: [(1S,2R,4R,5R)-2-(6-chloranylpurin-9-yl)-4-bicyclo[3.1.0]hexanyl] ethanoate Openeye Name: [(1S,2R,4R,5R)-2-(6-chloropurin-9-yl)-4-bicyclo[3.1.0]hexanyl] acetate CAS Name: acetic acid [(1S,2R,4R,5R)-2-(6-chloro-9-purinyl)-4-bicyclo[3.1.0]hexanyl] ester IUPAC Name: [(1S,2R,4R,5R)-2-(6-chloropurin-9-yl)-4-bicyclo[3.1.0]hexanyl] acetate Traditional Name: acetic acid [(1S,2R,4R,5R)-2-(6-chloropurin-9-yl)-4-bicyclo[3.1.0]hexanyl] ester Formula: C13H13ClN4O2 MolecularWeight: 292.72092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C2C1C2)N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

CC(=O)O[C@@H]1C[C@H]([C@@H]2[C@H]1C2)N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C13H13ClN4O2/c1-6(19)20-10-3-9(7-2-8(7)10)18-5-17-11-12(14)15-4-16-13(11)18/h4-5,7-10H,2-3H2,1H3/t7-,8+,9+,10+/m0/s1