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

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl 2-methylpropanoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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-methylpropanoate Traditional Name: 2-methylpropionic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl ester Formula: C13H20IN5O4 MolecularWeight: 437.23347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20IN5O4/c1-7(2)11(21)22-4-3-5-23-12(14)19-6-16-8-9(19)17-13(15)18-10(8)20/h7,12,16H,3-6H2,1-2H3,(H3,15,17,18,20)