[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one

Systemtic Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one Openeye Name: [(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methylphosphonic acid; 6-cyclohexyl-1-hydroxy-4-methyl-pyridin-2-one CAS Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; 6-cyclohexyl-1-hydroxy-4-methyl-2-pyridinone IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one Traditional Name: [(1R)-2-adenin-9-yl-1-methyl-ethoxy]methylphosphonic acid; 6-cyclohexyl-1-hydroxy-4-methyl-2-pyridone Formula: C21H31N6O6P MolecularWeight: 494.481201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C2CCCCC2)O.CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

Isomeric SMILES

CC1=CC(=O)N(C(=C1)C2CCCCC2)O.C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

InChI

InChI=1S/C12H17NO2.C9H14N5O4P/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h7-8,10,15H,2-6H2,1H3;3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t;6-/m.1/s1