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

Systemtic Name: [(1R,2R)-2-(6-oxidanylidene-3H-purin-9-yl)cyclohexyl]oxymethylphosphonic acid Openeye Name: [(1R,2R)-2-(6-oxo-3H-purin-9-yl)cyclohexoxy]methylphosphonic acid CAS Name: [(1R,2R)-2-(6-oxo-3H-purin-9-yl)cyclohexyl]oxymethylphosphonic acid IUPAC Name: [(1R,2R)-2-(6-oxo-3H-purin-9-yl)cyclohexyl]oxymethylphosphonic acid Traditional Name: [(1R,2R)-2-(6-keto-3H-purin-9-yl)cyclohexoxy]methylphosphonic acid Formula: C12H17N4O5P MolecularWeight: 328.260941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N4O5P/c17-12-10-11(13-5-14-12)16(6-15-10)8-3-1-2-4-9(8)21-7-22(18,19)20/h5-6,8-9H,1-4,7H2,(H,13,14,17)(H2,18,19,20)/t8-,9-/m1/s1