[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butoxy]-methyl-phosphinic acid

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butoxy]-methyl-phosphinic acid Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butoxy]-methyl-phosphinic acid CAS Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butoxy]-methylphosphinic acid IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butoxy]-methylphosphinic acid Traditional Name: [4-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-butoxy]-methyl-phosphinic acid Formula: C11H18N5O5P MolecularWeight: 331.264881

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO

Isomeric SMILES

CP(=O)(O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO

InChI

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