[(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl] ethanoate

Systemtic Name: [(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl] ethanoate Openeye Name: [(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl] acetate CAS Name: acetic acid [(1S,4R)-4-(2-amino-6-chloro-9-purinyl)-1-cyclopent-2-enyl] ester IUPAC Name: [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl] acetate Traditional Name: acetic acid [(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl] ester Formula: C12H12ClN5O2 MolecularWeight: 293.70898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C=C1)N2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

CC(=O)O[C@H]1C[C@H](C=C1)N2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C12H12ClN5O2/c1-6(19)20-8-3-2-7(4-8)18-5-15-9-10(13)16-12(14)17-11(9)18/h2-3,5,7-8H,4H2,1H3,(H2,14,16,17)/t7-,8+/m0/s1