3-[(2-acetamido-6-chloranyl-purin-9-yl)-(2,2-dimethylpropanoyloxy)methoxy]propyl 2,2-dimethylpropanoate

Systemtic Name: 3-[(2-acetamido-6-chloranyl-purin-9-yl)-(2,2-dimethylpropanoyloxy)methoxy]propyl 2,2-dimethylpropanoate Openeye Name: 3-[(2-acetamido-6-chloro-purin-9-yl)-(2,2-dimethylpropanoyloxy)methoxy]propyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-[(2-acetamido-6-chloro-9-purinyl)-(2,2-dimethyl-1-oxopropoxy)methoxy]propyl ester IUPAC Name: 3-[(2-acetamido-6-chloropurin-9-yl)-(2,2-dimethylpropanoyloxy)methoxy]propyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-[(2-acetamido-6-chloro-purin-9-yl)-pivaloyloxy-methoxy]propyl ester Formula: C21H30ClN5O6 MolecularWeight: 483.9458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2C(OCCCOC(=O)C(C)(C)C)OC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2C(OCCCOC(=O)C(C)(C)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C21H30ClN5O6/c1-12(28)24-18-25-14(22)13-15(26-18)27(11-23-13)19(33-17(30)21(5,6)7)32-10-8-9-31-16(29)20(2,3)4/h11,19H,8-10H2,1-7H3,(H,24,25,26,28)