[6-azanyl-9-(phenylmethyl)purin-8-yl] 2,2-dimethylpropanoate

Systemtic Name: [6-azanyl-9-(phenylmethyl)purin-8-yl] 2,2-dimethylpropanoate Openeye Name: (6-amino-9-benzyl-purin-8-yl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-amino-9-(phenylmethyl)-8-purinyl] ester IUPAC Name: (6-amino-9-benzylpurin-8-yl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (6-amino-9-benzyl-purin-8-yl) ester Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2/c1-17(2,3)15(23)24-16-21-12-13(18)19-10-20-14(12)22(16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,18,19,20)