3-(6-azanyl-1-oxidanyl-purin-2-yl)oxybutoxymethylphosphonic acid

Systemtic Name: 3-(6-azanyl-1-oxidanyl-purin-2-yl)oxybutoxymethylphosphonic acid Openeye Name: 3-(6-amino-1-hydroxy-purin-2-yl)oxybutoxymethylphosphonic acid CAS Name: 3-[(6-amino-1-hydroxy-2-purinyl)oxy]butoxymethylphosphonic acid IUPAC Name: 3-(6-amino-1-hydroxypurin-2-yl)oxybutoxymethylphosphonic acid Traditional Name: 3-(6-amino-1-hydroxy-purin-2-yl)oxybutoxymethylphosphonic acid Formula: C10H16N5O6P MolecularWeight: 333.237701

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOCP(=O)(O)O)OC1=NC2=NC=NC2=C(N1O)N

Isomeric SMILES

CC(CCOCP(=O)(O)O)OC1=NC2=NC=NC2=C(N1O)N

InChI

InChI=1S/C10H16N5O6P/c1-6(2-3-20-5-22(17,18)19)21-10-14-9-7(12-4-13-9)8(11)15(10)16/h4,6,16H,2-3,5,11H2,1H3,(H2,17,18,19)