(2-azanyl-8-bromanyl-6-phenylmethoxy-purin-7-yl)methyl 2,2-dimethylpropanoate

Systemtic Name: (2-azanyl-8-bromanyl-6-phenylmethoxy-purin-7-yl)methyl 2,2-dimethylpropanoate Openeye Name: (2-amino-6-benzyloxy-8-bromo-purin-7-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (2-amino-8-bromo-6-phenylmethoxy-7-purinyl)methyl ester IUPAC Name: (2-amino-8-bromo-6-phenylmethoxypurin-7-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (2-amino-6-benzoxy-8-bromo-purin-7-yl)methyl ester Formula: C18H20BrN5O3 MolecularWeight: 434.2871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C2=C(N=C(N=C2OCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CC(C)(C)C(=O)OCN1C2=C(N=C(N=C2OCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C18H20BrN5O3/c1-18(2,3)15(25)27-10-24-12-13(21-16(24)19)22-17(20)23-14(12)26-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,20,22,23)