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

Systemtic Name: [(1R,2R)-2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cycloheptyl]oxymethylphosphonic acid Openeye Name: [(1R,2R)-2-(2-amino-6-oxo-3H-purin-9-yl)cycloheptoxy]methylphosphonic acid CAS Name: [(1R,2R)-2-(2-amino-6-oxo-3H-purin-9-yl)cycloheptyl]oxymethylphosphonic acid IUPAC Name: [(1R,2R)-2-(2-amino-6-oxo-3H-purin-9-yl)cycloheptyl]oxymethylphosphonic acid Traditional Name: [(1R,2R)-2-(2-amino-6-keto-3H-purin-9-yl)cycloheptoxy]methylphosphonic acid Formula: C13H20N5O5P MolecularWeight: 357.302161

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)OCP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1CC[C@H]([C@@H](CC1)OCP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C13H20N5O5P/c14-13-16-11-10(12(19)17-13)15-6-18(11)8-4-2-1-3-5-9(8)23-7-24(20,21)22/h6,8-9H,1-5,7H2,(H2,20,21,22)(H3,14,16,17,19)/t8-,9-/m1/s1