[(1S,4R)-4-(6-chloranylpurin-9-yl)cyclopent-2-en-1-yl] benzoate

Systemtic Name: [(1S,4R)-4-(6-chloranylpurin-9-yl)cyclopent-2-en-1-yl] benzoate Openeye Name: [(1S,4R)-4-(6-chloropurin-9-yl)cyclopent-2-en-1-yl] benzoate CAS Name: benzoic acid [(1S,4R)-4-(6-chloro-9-purinyl)-1-cyclopent-2-enyl] ester IUPAC Name: [(1S,4R)-4-(6-chloropurin-9-yl)cyclopent-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,4R)-4-(6-chloropurin-9-yl)cyclopent-2-en-1-yl] ester Formula: C17H13ClN4O2 MolecularWeight: 340.76372

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1OC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

C1[C@H](C=C[C@H]1OC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C17H13ClN4O2/c18-15-14-16(20-9-19-15)22(10-21-14)12-6-7-13(8-12)24-17(23)11-4-2-1-3-5-11/h1-7,9-10,12-13H,8H2/t12-,13+/m0/s1