[(1S,4R)-4-(6-aminopurin-9-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid

Systemtic Name: [(1S,4R)-4-(6-aminopurin-9-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid Openeye Name: [(1S,4R)-4-(6-aminopurin-9-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid CAS Name: [(1S,4R)-4-(6-aminopurin-9-yl)-1-cyclohex-2-enyl]oxymethylphosphonic acid IUPAC Name: [(1S,4R)-4-(6-aminopurin-9-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid Traditional Name: [(1S,4R)-4-adenin-9-ylcyclohex-2-en-1-yl]oxymethylphosphonic acid Formula: C12H16N5O4P MolecularWeight: 325.260301

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=CC1N2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

Isomeric SMILES

C1C[C@@H](C=C[C@@H]1N2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

InChI

InChI=1S/C12H16N5O4P/c13-11-10-12(15-5-14-11)17(6-16-10)8-1-3-9(4-2-8)21-7-22(18,19)20/h1,3,5-6,8-9H,2,4,7H2,(H2,13,14,15)(H2,18,19,20)/t8-,9+/m0/s1