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

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl 2-oxidanylethanoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl 2-hydroxyacetate CAS Name: 2-hydroxyacetic 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-hydroxyacetate Traditional Name: 2-hydroxyacetic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl ester Formula: C11H16IN5O5 MolecularWeight: 425.17971

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C(OCCCOC(=O)CO)I)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1C(OCCCOC(=O)CO)I)NC(=NC2=O)N

InChI

InChI=1S/C11H16IN5O5/c12-10(22-3-1-2-21-6(19)4-18)17-5-14-7-8(17)15-11(13)16-9(7)20/h10,14,18H,1-5H2,(H3,13,15,16,20)