1-[9-(phenylmethyl)purin-6-yl]ethyl ethanoate

Systemtic Name: 1-[9-(phenylmethyl)purin-6-yl]ethyl ethanoate Openeye Name: 1-(9-benzylpurin-6-yl)ethyl acetate CAS Name: acetic acid 1-[9-(phenylmethyl)-6-purinyl]ethyl ester IUPAC Name: 1-(9-benzylpurin-6-yl)ethyl acetate Traditional Name: acetic acid 1-(9-benzylpurin-6-yl)ethyl ester Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC(C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C16H16N4O2/c1-11(22-12(2)21)14-15-16(18-9-17-14)20(10-19-15)8-13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3