3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl 4-oxidanylbutanoate

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl 4-oxidanylbutanoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl 4-hydroxybutanoate CAS Name: 4-hydroxybutanoic 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 4-hydroxybutanoate Traditional Name: 4-hydroxybutyric acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl ester Formula: C13H20IN5O5 MolecularWeight: 453.23287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20IN5O5/c14-12(24-6-2-5-23-8(21)3-1-4-20)19-7-16-9-10(19)17-13(15)18-11(9)22/h12,16,20H,1-7H2,(H3,15,17,18,22)