[(1R,2R)-2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclohexyl]oxymethylphosphonic acid

Systemtic Name: [(1R,2R)-2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclohexyl]oxymethylphosphonic acid Openeye Name: [(1R,2R)-2-(2-amino-6-oxo-3H-purin-9-yl)cyclohexoxy]methylphosphonic acid CAS Name: [(1R,2R)-2-(2-amino-6-oxo-3H-purin-9-yl)cyclohexyl]oxymethylphosphonic acid IUPAC Name: [(1R,2R)-2-(2-amino-6-oxo-3H-purin-9-yl)cyclohexyl]oxymethylphosphonic acid Traditional Name: [(1R,2R)-2-(2-amino-6-keto-3H-purin-9-yl)cyclohexoxy]methylphosphonic acid Formula: C12H18N5O5P MolecularWeight: 343.275581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

Isomeric SMILES

C1CC[C@H]([C@@H](C1)N2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

InChI

InChI=1S/C12H18N5O5P/c13-12-15-10-9(11(18)16-12)14-5-17(10)7-3-1-2-4-8(7)22-6-23(19,20)21/h5,7-8H,1-4,6H2,(H2,19,20,21)(H3,13,15,16,18)/t7-,8-/m1/s1