4-[(2-azanylpurin-9-yl)-iodanyl-methoxy]butanoic acid

Systemtic Name: 4-[(2-azanylpurin-9-yl)-iodanyl-methoxy]butanoic acid Openeye Name: 4-[(2-aminopurin-9-yl)-iodo-methoxy]butanoic acid CAS Name: 4-[(2-amino-9-purinyl)-iodomethoxy]butanoic acid IUPAC Name: 4-[(2-aminopurin-9-yl)-iodomethoxy]butanoic acid Traditional Name: 4-[(2-aminopurin-9-yl)-iodo-methoxy]butyric acid Formula: C10H12IN5O3 MolecularWeight: 377.13845

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC(=N1)N)N(C=N2)C(OCCCC(=O)O)I

Isomeric SMILES

C1=C2C(=NC(=N1)N)N(C=N2)C(OCCCC(=O)O)I

InChI

InChI=1S/C10H12IN5O3/c11-9(19-3-1-2-7(17)18)16-5-14-6-4-13-10(12)15-8(6)16/h4-5,9H,1-3H2,(H,17,18)(H2,12,13,15)