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

Systemtic Name: 2-azanyl-9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purine-6-thione Openeye Name: 2-amino-9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]-3H-purine-6-thione CAS Name: 2-amino-9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purine-6-thione IUPAC Name: 2-amino-9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purine-6-thione Traditional Name: 2-amino-9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]-3H-purine-6-thione Formula: C22H41N5O8P2S MolecularWeight: 597.602162

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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=C1NC(=NC2=S)N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(COCC(COCP(=O)(OC(C)C)OC(C)C)N1C=NC2=C1NC(=NC2=S)N)OC(C)C

InChI

InChI=1S/C22H41N5O8P2S/c1-14(2)32-36(28,33-15(3)4)12-30-9-18(10-31-13-37(29,34-16(5)6)35-17(7)8)27-11-24-19-20(27)25-22(23)26-21(19)38/h11,14-18H,9-10,12-13H2,1-8H3,(H3,23,25,26,38)