9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-N6-cyclopropyl-purine-2,6-diamine

Systemtic Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-N6-cyclopropyl-purine-2,6-diamine Openeye Name: N6-cyclopropyl-9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]purine-2,6-diamine CAS Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-N6-cyclopropylpurine-2,6-diamine IUPAC Name: 9-[1,3-bis[di(propan-2-yloxy)phosphorylmethoxy]propan-2-yl]-6-N-cyclopropylpurine-2,6-diamine Traditional Name: [2-amino-9-[2-(diisopropoxyphosphorylmethoxy)-1-(diisopropoxyphosphorylmethoxymethyl)ethyl]purin-6-yl]-cyclopropyl-amine Formula: C25H46N6O8P2 MolecularWeight: 620.615662

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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=C(N=C2NC3CC3)N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(COCC(COCP(=O)(OC(C)C)OC(C)C)N1C=NC2=C1N=C(N=C2NC3CC3)N)OC(C)C

InChI

InChI=1S/C25H46N6O8P2/c1-16(2)36-40(32,37-17(3)4)14-34-11-21(12-35-15-41(33,38-18(5)6)39-19(7)8)31-13-27-22-23(28-20-9-10-20)29-25(26)30-24(22)31/h13,16-21H,9-12,14-15H2,1-8H3,(H3,26,28,29,30)