[2-[1-[(2-azanylpurin-9-yl)methyl]cyclopropyl]oxy-1,3-bis(2-methylpropoxycarbonyloxy)propan-2-yl]phosphonic acid

Systemtic Name: [2-[1-[(2-azanylpurin-9-yl)methyl]cyclopropyl]oxy-1,3-bis(2-methylpropoxycarbonyloxy)propan-2-yl]phosphonic acid Openeye Name: [1-[1-[(2-aminopurin-9-yl)methyl]cyclopropoxy]-2-isobutoxycarbonyloxy-1-(isobutoxycarbonyloxymethyl)ethyl]phosphonic acid CAS Name: [2-[1-[(2-amino-9-purinyl)methyl]cyclopropyl]oxy-1,3-bis[2-methylpropoxy(oxo)methoxy]propan-2-yl]phosphonic acid IUPAC Name: [2-[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxy-1,3-bis(2-methylpropoxycarbonyloxy)propan-2-yl]phosphonic acid Traditional Name: [1-[1-[(2-aminopurin-9-yl)methyl]cyclopropoxy]-2-isobutoxycarbonyloxy-1-(isobutoxycarbonyloxymethyl)ethyl]phosphonic acid Formula: C22H34N5O10P MolecularWeight: 559.506621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)OCC(COC(=O)OCC(C)C)(OC1(CC1)CN2C=NC3=CN=C(N=C32)N)P(=O)(O)O

Isomeric SMILES

CC(C)COC(=O)OCC(COC(=O)OCC(C)C)(OC1(CC1)CN2C=NC3=CN=C(N=C32)N)P(=O)(O)O

InChI

InChI=1S/C22H34N5O10P/c1-14(2)8-33-19(28)35-11-22(38(30,31)32,12-36-20(29)34-9-15(3)4)37-21(5-6-21)10-27-13-25-16-7-24-18(23)26-17(16)27/h7,13-15H,5-6,8-12H2,1-4H3,(H2,23,24,26)(H2,30,31,32)