(phenylmethyl) 6-azanyl-7H-purine-2-carboxylate

Systemtic Name: (phenylmethyl) 6-azanyl-7H-purine-2-carboxylate Openeye Name: benzyl 6-amino-7H-purine-2-carboxylate CAS Name: 6-amino-7H-purine-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-7H-purine-2-carboxylate Traditional Name: 6-amino-7H-purine-2-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)C2=NC3=C(C(=N2)N)NC=N3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC3=C(C(=N2)N)NC=N3

InChI

InChI=1S/C13H11N5O2/c14-10-9-11(16-7-15-9)18-12(17-10)13(19)20-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,14,15,16,17,18)