[6-azanyl-9-(phenylmethyl)purin-8-yl] ethanoate

Systemtic Name: [6-azanyl-9-(phenylmethyl)purin-8-yl] ethanoate Openeye Name: (6-amino-9-benzyl-purin-8-yl) acetate CAS Name: acetic acid [6-amino-9-(phenylmethyl)-8-purinyl] ester IUPAC Name: (6-amino-9-benzylpurin-8-yl) acetate Traditional Name: acetic acid (6-amino-9-benzyl-purin-8-yl) ester Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=CN=C2N

Isomeric SMILES

CC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=CN=C2N

InChI

InChI=1S/C14H13N5O2/c1-9(20)21-14-18-11-12(15)16-8-17-13(11)19(14)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,15,16,17)