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

Systemtic Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purine-6-thione Openeye Name: 9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]-3H-purine-6-thione CAS Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purine-6-thione IUPAC Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purine-6-thione Traditional Name: 9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]-3H-purine-6-thione Formula: C22H40N4O8P2S MolecularWeight: 582.587522

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H40N4O8P2S/c1-15(2)31-35(27,32-16(3)4)13-29-9-19(26-12-25-20-21(26)23-11-24-22(20)37)10-30-14-36(28,33-17(5)6)34-18(7)8/h11-12,15-19H,9-10,13-14H2,1-8H3,(H,23,24,37)