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

Systemtic Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purin-6-one Openeye Name: 9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]-3H-purin-6-one CAS Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purin-6-one IUPAC Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purin-6-one Traditional Name: 9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]-3H-purin-6-one Formula: C22H40N4O9P2 MolecularWeight: 566.521922

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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=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H40N4O9P2/c1-15(2)32-36(28,33-16(3)4)13-30-9-19(26-12-25-20-21(26)23-11-24-22(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,(H,23,24,27)