1-(6-azanyl-6-azido-2-oxidanylidene-1H-pyrimidin-3-yl)butan-2-yloxymethylphosphonic acid

Systemtic Name: 1-(6-azanyl-6-azido-2-oxidanylidene-1H-pyrimidin-3-yl)butan-2-yloxymethylphosphonic acid Openeye Name: 1-[(6-amino-6-azido-2-oxo-1H-pyrimidin-3-yl)methyl]propoxymethylphosphonic acid CAS Name: 1-(6-amino-6-azido-2-oxo-1H-pyrimidin-3-yl)butan-2-yloxymethylphosphonic acid IUPAC Name: 1-(6-amino-6-azido-2-oxo-1H-pyrimidin-3-yl)butan-2-yloxymethylphosphonic acid Traditional Name: 1-[(6-amino-6-azido-2-keto-1H-pyrimidin-3-yl)methyl]propoxymethylphosphonic acid Formula: C9H17N6O5P MolecularWeight: 320.242241

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=CC(NC1=O)(N)N=[N+]=[N-])OCP(=O)(O)O

Isomeric SMILES

CCC(CN1C=CC(NC1=O)(N)N=[N+]=[N-])OCP(=O)(O)O

InChI

InChI=1S/C9H17N6O5P/c1-2-7(20-6-21(17,18)19)5-15-4-3-9(10,13-14-11)12-8(15)16/h3-4,7H,2,5-6,10H2,1H3,(H,12,16)(H2,17,18,19)