[4-cyclohexyl-2-[9-(2,2-dimethylpropyl)purin-2-yl]furan-3-yl]phosphonic acid

Systemtic Name: [4-cyclohexyl-2-[9-(2,2-dimethylpropyl)purin-2-yl]furan-3-yl]phosphonic acid Openeye Name: [4-cyclohexyl-2-[9-(2,2-dimethylpropyl)purin-2-yl]-3-furyl]phosphonic acid CAS Name: [4-cyclohexyl-2-[9-(2,2-dimethylpropyl)-2-purinyl]-3-furanyl]phosphonic acid IUPAC Name: [4-cyclohexyl-2-[9-(2,2-dimethylpropyl)purin-2-yl]furan-3-yl]phosphonic acid Traditional Name: [4-cyclohexyl-2-(9-neopentylpurin-2-yl)-3-furyl]phosphonic acid Formula: C20H27N4O4P MolecularWeight: 418.426541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=NC2=CN=C(N=C21)C3=C(C(=CO3)C4CCCCC4)P(=O)(O)O

Isomeric SMILES

CC(C)(C)CN1C=NC2=CN=C(N=C21)C3=C(C(=CO3)C4CCCCC4)P(=O)(O)O

InChI

InChI=1S/C20H27N4O4P/c1-20(2,3)11-24-12-22-15-9-21-18(23-19(15)24)16-17(29(25,26)27)14(10-28-16)13-7-5-4-6-8-13/h9-10,12-13H,4-8,11H2,1-3H3,(H2,25,26,27)