[(1R,2R)-2-(6-aminopurin-9-yl)cycloheptyl]oxymethylphosphonic acid

Systemtic Name: [(1R,2R)-2-(6-aminopurin-9-yl)cycloheptyl]oxymethylphosphonic acid Openeye Name: [(1R,2R)-2-(6-aminopurin-9-yl)cycloheptoxy]methylphosphonic acid CAS Name: [(1R,2R)-2-(6-aminopurin-9-yl)cycloheptyl]oxymethylphosphonic acid IUPAC Name: [(1R,2R)-2-(6-aminopurin-9-yl)cycloheptyl]oxymethylphosphonic acid Traditional Name: [(1R,2R)-2-adenin-9-ylcycloheptoxy]methylphosphonic acid Formula: C13H20N5O4P MolecularWeight: 341.302761

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)OCP(=O)(O)O)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1CC[C@H]([C@@H](CC1)OCP(=O)(O)O)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C13H20N5O4P/c14-12-11-13(16-6-15-12)18(7-17-11)9-4-2-1-3-5-10(9)22-8-23(19,20)21/h6-7,9-10H,1-5,8H2,(H2,14,15,16)(H2,19,20,21)/t9-,10-/m1/s1