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

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

Systemtic Name:adamantane; 4-[(2-azanylpurin-9-yl)-iodanyl-methoxy]butanoic acid
Openeye Name:adamantane; 4-[(2-aminopurin-9-yl)-iodo-methoxy]butanoic acid
CAS Name:adamantane; 4-[(2-amino-9-purinyl)-iodomethoxy]butanoic acid
IUPAC Name:adamantane; 4-[(2-aminopurin-9-yl)-iodomethoxy]butanoic acid
Traditional Name:adamantane; 4-[(2-aminopurin-9-yl)-iodo-methoxy]butyric acid
Formula: C20H28IN5O3
MolecularWeight: 513.37249
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3.C1=C2C(=NC(=N1)N)N(C=N2)C(OCCCC(=O)O)I


Isomeric SMILES

C1C2CC3CC1CC(C2)C3.C1=C2C(=NC(=N1)N)N(C=N2)C(OCCCC(=O)O)I


InChI

InChI=1S/C10H12IN5O3.C10H16/c11-9(19-3-1-2-7(17)18)16-5-14-6-4-13-10(12)15-8(6)16;1-7-2-9-4-8(1)5-10(3-7)6-9/h4-5,9H,1-3H2,(H,17,18)(H2,12,13,15);7-10H,1-6H2


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