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

Systemtic Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-6-chloranyl-purine Openeye Name: 6-chloro-9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]purine CAS Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-6-chloropurine IUPAC Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-6-chloropurine Traditional Name: 6-chloro-9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]purine Formula: C22H39ClN4O8P2 MolecularWeight: 584.967582

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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=CN=C2Cl)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H39ClN4O8P2/c1-15(2)32-36(28,33-16(3)4)13-30-9-19(27-12-26-20-21(23)24-11-25-22(20)27)10-31-14-37(29,34-17(5)6)35-18(7)8/h11-12,15-19H,9-10,13-14H2,1-8H3