3-[(2-azanyl-6-chloranyl-8-ethanoyl-purin-9-yl)-(2,2-dimethylpropanoyloxy)methoxy]propyl 2,2-dimethylpropanoate

Systemtic Name: 3-[(2-azanyl-6-chloranyl-8-ethanoyl-purin-9-yl)-(2,2-dimethylpropanoyloxy)methoxy]propyl 2,2-dimethylpropanoate Openeye Name: 3-[(8-acetyl-2-amino-6-chloro-purin-9-yl)-(2,2-dimethylpropanoyloxy)methoxy]propyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-[(8-acetyl-2-amino-6-chloro-9-purinyl)-(2,2-dimethyl-1-oxopropoxy)methoxy]propyl ester IUPAC Name: 3-[(8-acetyl-2-amino-6-chloropurin-9-yl)-(2,2-dimethylpropanoyloxy)methoxy]propyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-[(8-acetyl-2-amino-6-chloro-purin-9-yl)-pivaloyloxy-methoxy]propyl ester Formula: C21H30ClN5O6 MolecularWeight: 483.9458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC2=C(N1C(OCCCOC(=O)C(C)(C)C)OC(=O)C(C)(C)C)N=C(N=C2Cl)N

Isomeric SMILES

CC(=O)C1=NC2=C(N1C(OCCCOC(=O)C(C)(C)C)OC(=O)C(C)(C)C)N=C(N=C2Cl)N

InChI

InChI=1S/C21H30ClN5O6/c1-11(28)14-24-12-13(22)25-18(23)26-15(12)27(14)19(33-17(30)21(5,6)7)32-10-8-9-31-16(29)20(2,3)4/h19H,8-10H2,1-7H3,(H2,23,25,26)