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

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl 3-oxidanylpropanoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl 3-hydroxypropanoate CAS Name: 3-hydroxypropanoic 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 3-hydroxypropanoate Traditional Name: 3-hydroxypropionic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18IN5O5/c13-11(23-5-1-4-22-7(20)2-3-19)18-6-15-8-9(18)16-12(14)17-10(8)21/h11,15,19H,1-6H2,(H3,14,16,17,21)