(phenylmethyl) 2-azanyl-6-(furan-2-yl)purine-9-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-6-(furan-2-yl)purine-9-carboxylate Openeye Name: benzyl 2-amino-6-(2-furyl)purine-9-carboxylate CAS Name: 2-amino-6-(2-furanyl)-9-purinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-6-(furan-2-yl)purine-9-carboxylate Traditional Name: 2-amino-6-(2-furyl)purine-9-carboxylic acid benzyl ester Formula: C17H13N5O3 MolecularWeight: 335.31682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=NC3=C(N=C(N=C32)N)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=NC3=C(N=C(N=C32)N)C4=CC=CO4

InChI

InChI=1S/C17H13N5O3/c18-16-20-13(12-7-4-8-24-12)14-15(21-16)22(10-19-14)17(23)25-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,18,20,21)