4-[(6-aminopurin-9-yl)methyl]benzoate

Systemtic Name: 4-[(6-aminopurin-9-yl)methyl]benzoate Openeye Name: 4-[(6-aminopurin-9-yl)methyl]benzoate CAS Name: 4-[(6-aminopurin-9-yl)methyl]benzoate IUPAC Name: 4-[(6-aminopurin-9-yl)methyl]benzoate Traditional Name: 4-(adenin-9-ylmethyl)benzoate Formula: C13H10N5O2- MolecularWeight: 268.2508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3N)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3N)C(=O)[O-]

InChI

InChI=1S/C13H11N5O2/c14-11-10-12(16-6-15-11)18(7-17-10)5-8-1-3-9(4-2-8)13(19)20/h1-4,6-7H,5H2,(H,19,20)(H2,14,15,16)/p-1