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

Systemtic Name: 2-azanyl-9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]-3H-purin-6-one CAS Name: 2-amino-9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purin-6-one IUPAC Name: 2-amino-9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]-3H-purin-6-one Formula: C22H41N5O9P2 MolecularWeight: 581.536562

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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)N)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H41N5O9P2/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)27-11-24-19-20(27)25-22(23)26-21(19)28/h11,14-18H,9-10,12-13H2,1-8H3,(H3,23,25,26,28)