adamantane; 4-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]butanoic acid

Systemtic Name: adamantane; 4-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]butanoic acid Openeye Name: adamantane; 4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]butanoic acid CAS Name: adamantane; 4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodomethoxy]butanoic acid IUPAC Name: adamantane; 4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodomethoxy]butanoic acid Traditional Name: adamantane; 4-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]butyric acid Formula: C20H30IN5O4 MolecularWeight: 531.38777

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3.C1NC2=C(N1C(OCCCC(=O)O)I)NC(=NC2=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3.C1NC2=C(N1C(OCCCC(=O)O)I)NC(=NC2=O)N

InChI

InChI=1S/C10H14IN5O4.C10H16/c11-9(20-3-1-2-5(17)18)16-4-13-6-7(16)14-10(12)15-8(6)19;1-7-2-9-4-8(1)5-10(3-7)6-9/h9,13H,1-4H2,(H,17,18)(H3,12,14,15,19);7-10H,1-6H2