7H-purin-6-ylmethyl benzoate

Systemtic Name: 7H-purin-6-ylmethyl benzoate Openeye Name: 7H-purin-6-ylmethyl benzoate CAS Name: benzoic acid 7H-purin-6-ylmethyl ester IUPAC Name: 7H-purin-6-ylmethyl benzoate Traditional Name: benzoic acid 7H-purin-6-ylmethyl ester Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=C3C(=NC=N2)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=C3C(=NC=N2)N=CN3

InChI

InChI=1S/C13H10N4O2/c18-13(9-4-2-1-3-5-9)19-6-10-11-12(16-7-14-10)17-8-15-11/h1-5,7-8H,6H2,(H,14,15,16,17)