3-[[6-azanyl-2-(methoxymethyl)-7H-purin-8-yl]oxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[[6-azanyl-2-(methoxymethyl)-7H-purin-8-yl]oxy]pentan-3-ylphosphonic acid Openeye Name: [1-[[6-amino-2-(methoxymethyl)-7H-purin-8-yl]oxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[[6-amino-2-(methoxymethyl)-7H-purin-8-yl]oxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[[6-amino-2-(methoxymethyl)-7H-purin-8-yl]oxy]pentan-3-ylphosphonic acid Traditional Name: [1-[[6-amino-2-(methoxymethyl)-7H-purin-8-yl]oxy]-1-ethyl-propyl]phosphonic acid Formula: C12H20N5O5P MolecularWeight: 345.291461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC1=NC2=C(N1)C(=NC(=N2)COC)N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC1=NC2=C(N1)C(=NC(=N2)COC)N)P(=O)(O)O

InChI

InChI=1S/C12H20N5O5P/c1-4-12(5-2,23(18,19)20)22-11-16-8-9(13)14-7(6-21-3)15-10(8)17-11/h4-6H2,1-3H3,(H2,18,19,20)(H3,13,14,15,16,17)