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

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl 2-methoxyethanoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl 2-methoxyacetate CAS Name: 2-methoxyacetic 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-methoxyacetate Traditional Name: 2-methoxyacetic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl ester Formula: C12H18IN5O5 MolecularWeight: 439.20629

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)I

Isomeric SMILES

COCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)I

InChI

InChI=1S/C12H18IN5O5/c1-21-5-7(19)22-3-2-4-23-11(13)18-6-15-8-9(18)16-12(14)17-10(8)20/h11,15H,2-6H2,1H3,(H3,14,16,17,20)