1-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxy]butylphosphonic acid

Systemtic Name: 1-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxy]butylphosphonic acid Openeye Name: 1-[2-(2-amino-6-oxo-3H-purin-9-yl)ethoxy]butylphosphonic acid CAS Name: 1-[2-(2-amino-6-oxo-3H-purin-9-yl)ethoxy]butylphosphonic acid IUPAC Name: 1-[2-(2-amino-6-oxo-3H-purin-9-yl)ethoxy]butylphosphonic acid Traditional Name: 1-[2-(2-amino-6-keto-3H-purin-9-yl)ethoxy]butylphosphonic acid Formula: C11H18N5O5P MolecularWeight: 331.264881

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OCCN1C=NC2=C1NC(=NC2=O)N)P(=O)(O)O

Isomeric SMILES

CCCC(OCCN1C=NC2=C1NC(=NC2=O)N)P(=O)(O)O

InChI

InChI=1S/C11H18N5O5P/c1-2-3-7(22(18,19)20)21-5-4-16-6-13-8-9(16)14-11(12)15-10(8)17/h6-7H,2-5H2,1H3,(H2,18,19,20)(H3,12,14,15,17)