(phenylmethyl) 6-azanylpurine-3-carboxylate

Systemtic Name: (phenylmethyl) 6-azanylpurine-3-carboxylate Openeye Name: benzyl 6-aminopurine-3-carboxylate CAS Name: 6-amino-3-purinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-aminopurine-3-carboxylate Traditional Name: 6-aminopurine-3-carboxylic acid benzyl ester Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=NC(=C3C2=NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=NC(=C3C2=NC=N3)N

InChI

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