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

Systemtic Name: [(1R,2R)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)cycloheptyl]oxymethylphosphonic acid Openeye Name: [(1R,2R)-2-(4-amino-2-oxo-pyrimidin-1-yl)cycloheptoxy]methylphosphonic acid CAS Name: [(1R,2R)-2-(4-amino-2-oxo-1-pyrimidinyl)cycloheptyl]oxymethylphosphonic acid IUPAC Name: [(1R,2R)-2-(4-amino-2-oxopyrimidin-1-yl)cycloheptyl]oxymethylphosphonic acid Traditional Name: [(1R,2R)-2-(4-amino-2-keto-pyrimidin-1-yl)cycloheptoxy]methylphosphonic acid Formula: C12H20N3O5P MolecularWeight: 317.278061

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)OCP(=O)(O)O)N2C=CC(=NC2=O)N

Isomeric SMILES

C1CC[C@H]([C@@H](CC1)OCP(=O)(O)O)N2C=CC(=NC2=O)N

InChI

InChI=1S/C12H20N3O5P/c13-11-6-7-15(12(16)14-11)9-4-2-1-3-5-10(9)20-8-21(17,18)19/h6-7,9-10H,1-5,8H2,(H2,13,14,16)(H2,17,18,19)/t9-,10-/m1/s1