[(2R)-1-[2-azanyl-6-(3-cyclohexylpropylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2R)-1-[2-azanyl-6-(3-cyclohexylpropylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[2-amino-6-(3-cyclohexylpropylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[2-amino-6-(3-cyclohexylpropylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[2-amino-6-(3-cyclohexylpropylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[2-amino-6-(3-cyclohexylpropylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C18H32N6O4P+ MolecularWeight: 427.458241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1=CNC2=C1N=C(N=C2NCCCC3CCCCC3)N)OCP(=O)(O)O

Isomeric SMILES

C[C@H](C[N+]1=CNC2=C1N=C(N=C2NCCCC3CCCCC3)N)OCP(=O)(O)O

InChI

InChI=1S/C18H31N6O4P/c1-13(28-12-29(25,26)27)10-24-11-21-15-16(22-18(19)23-17(15)24)20-9-5-8-14-6-3-2-4-7-14/h11,13-14H,2-10,12H2,1H3,(H5,19,20,22,23,25,26,27)/p+1/t13-/m1/s1