[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-oxidanyl-butan-2-yl]oxymethylphosphonic acid

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-oxidanyl-butan-2-yl]oxymethylphosphonic acid Openeye Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-1-(hydroxymethyl)propoxy]methylphosphonic acid CAS Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1-hydroxybutan-2-yl]oxymethylphosphonic acid IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1-hydroxybutan-2-yl]oxymethylphosphonic acid Traditional Name: [3-(2-amino-6-keto-3H-purin-9-yl)-1-methylol-propoxy]methylphosphonic acid Formula: C10H16N5O6P MolecularWeight: 333.237701

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)OCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCC(CO)OCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-4-15(8)2-1-6(3-16)21-5-22(18,19)20/h4,6,16H,1-3,5H2,(H2,18,19,20)(H3,11,13,14,17)