3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl 2,2-dimethylpropanoate

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl 2,2-dimethylpropanoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodomethoxy]propyl ester IUPAC Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodomethoxy]propyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl ester Formula: C14H22IN5O4 MolecularWeight: 451.26005

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)I

Isomeric SMILES

CC(C)(C)C(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)I

InChI

InChI=1S/C14H22IN5O4/c1-14(2,3)11(22)23-5-4-6-24-12(15)20-7-17-8-9(20)18-13(16)19-10(8)21/h12,17H,4-7H2,1-3H3,(H3,16,18,19,21)