[4-(6-chloranylpurin-9-yl)-2-methylidene-butyl] benzoate

Systemtic Name: [4-(6-chloranylpurin-9-yl)-2-methylidene-butyl] benzoate Openeye Name: [4-(6-chloropurin-9-yl)-2-methylene-butyl] benzoate CAS Name: benzoic acid [4-(6-chloro-9-purinyl)-2-methylenebutyl] ester IUPAC Name: [4-(6-chloropurin-9-yl)-2-methylidenebutyl] benzoate Traditional Name: benzoic acid 2-[2-(6-chloropurin-9-yl)ethyl]allyl ester Formula: C17H15ClN4O2 MolecularWeight: 342.7796

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCN1C=NC2=C1N=CN=C2Cl)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C=C(CCN1C=NC2=C1N=CN=C2Cl)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H15ClN4O2/c1-12(9-24-17(23)13-5-3-2-4-6-13)7-8-22-11-21-14-15(18)19-10-20-16(14)22/h2-6,10-11H,1,7-9H2