[(1S,4R)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid

Systemtic Name: [(1S,4R)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid Openeye Name: [(1S,4R)-4-(4-amino-2-oxo-pyrimidin-1-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid CAS Name: [(1S,4R)-4-(4-amino-2-oxo-1-pyrimidinyl)-1-cyclohex-2-enyl]oxymethylphosphonic acid IUPAC Name: [(1S,4R)-4-(4-amino-2-oxopyrimidin-1-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid Traditional Name: [(1S,4R)-4-(4-amino-2-keto-pyrimidin-1-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid Formula: C11H16N3O5P MolecularWeight: 301.235601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=CC1N2C=CC(=NC2=O)N)OCP(=O)(O)O

Isomeric SMILES

C1C[C@@H](C=C[C@@H]1N2C=CC(=NC2=O)N)OCP(=O)(O)O

InChI

InChI=1S/C11H16N3O5P/c12-10-5-6-14(11(15)13-10)8-1-3-9(4-2-8)19-7-20(16,17)18/h1,3,5-6,8-9H,2,4,7H2,(H2,12,13,15)(H2,16,17,18)/t8-,9+/m0/s1