2-[(6-chloranylpurin-9-yl)methoxy]ethyl benzoate

Systemtic Name: 2-[(6-chloranylpurin-9-yl)methoxy]ethyl benzoate Openeye Name: 2-[(6-chloropurin-9-yl)methoxy]ethyl benzoate CAS Name: benzoic acid 2-[(6-chloro-9-purinyl)methoxy]ethyl ester IUPAC Name: 2-[(6-chloropurin-9-yl)methoxy]ethyl benzoate Traditional Name: benzoic acid 2-[(6-chloropurin-9-yl)methoxy]ethyl ester Formula: C15H13ClN4O3 MolecularWeight: 332.74172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCOCN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCOCN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C15H13ClN4O3/c16-13-12-14(18-8-17-13)20(9-19-12)10-22-6-7-23-15(21)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2