[(1S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid

Systemtic Name: [(1S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid Openeye Name: [(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid CAS Name: [(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclohex-2-enyl]oxymethylphosphonic acid IUPAC Name: [(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid Traditional Name: [(1S,4R)-4-(2-amino-6-keto-3H-purin-9-yl)cyclohex-2-en-1-yl]oxymethylphosphonic acid Formula: C12H16N5O5P MolecularWeight: 341.259701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=CC1N2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

Isomeric SMILES

C1C[C@@H](C=C[C@@H]1N2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

InChI

InChI=1S/C12H16N5O5P/c13-12-15-10-9(11(18)16-12)14-5-17(10)7-1-3-8(4-2-7)22-6-23(19,20)21/h1,3,5,7-8H,2,4,6H2,(H2,19,20,21)(H3,13,15,16,18)/t7-,8+/m0/s1