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

Systemtic Name: [(1S,4R)-4-(6-chloranylpurin-9-yl)-4-methyl-cyclopent-2-en-1-yl] benzoate Openeye Name: [(1S,4R)-4-(6-chloropurin-9-yl)-4-methyl-cyclopent-2-en-1-yl] benzoate CAS Name: benzoic acid [(1S,4R)-4-(6-chloro-9-purinyl)-4-methyl-1-cyclopent-2-enyl] ester IUPAC Name: [(1S,4R)-4-(6-chloropurin-9-yl)-4-methylcyclopent-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,4R)-4-(6-chloropurin-9-yl)-4-methyl-cyclopent-2-en-1-yl] ester Formula: C18H15ClN4O2 MolecularWeight: 354.7903

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C=C1)OC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O2/c1-18(23-11-22-14-15(19)20-10-21-16(14)23)8-7-13(9-18)25-17(24)12-5-3-2-4-6-12/h2-8,10-11,13H,9H2,1H3/t13-,18+/m1/s1