9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-6-chloranyl-purin-2-amine

Systemtic Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-6-chloranyl-purin-2-amine Openeye Name: 6-chloro-9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]purin-2-amine CAS Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-6-chloro-2-purinamine IUPAC Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-6-chloropurin-2-amine Traditional Name: [6-chloro-9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]purin-2-yl]amine Formula: C22H40ClN5O8P2 MolecularWeight: 599.982222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COCC(COCP(=O)(OC(C)C)OC(C)C)N1C=NC2=C1N=C(N=C2Cl)N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(COCC(COCP(=O)(OC(C)C)OC(C)C)N1C=NC2=C1N=C(N=C2Cl)N)OC(C)C

InChI

InChI=1S/C22H40ClN5O8P2/c1-14(2)33-37(29,34-15(3)4)12-31-9-18(10-32-13-38(30,35-16(5)6)36-17(7)8)28-11-25-19-20(23)26-22(24)27-21(19)28/h11,14-18H,9-10,12-13H2,1-8H3,(H2,24,26,27)