[2-[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]oxy-2-phosphonato-3-propan-2-yloxycarbonyloxy-propyl] propan-2-yl carbonate

Systemtic Name: [2-[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]oxy-2-phosphonato-3-propan-2-yloxycarbonyloxy-propyl] propan-2-yl carbonate Openeye Name: [2-[1-[(6-aminopurin-9-yl)methyl]cyclopropoxy]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl carbonate CAS Name: carbonic acid [2-[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]oxy-3-[oxo(propan-2-yloxy)methoxy]-2-phosphonatopropyl] propan-2-yl ester IUPAC Name: [2-[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]oxy-2-phosphonato-3-propan-2-yloxycarbonyloxypropyl] propan-2-yl carbonate Traditional Name: carbonic acid [2-[1-(adenin-9-ylmethyl)cyclopropoxy]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl ester Formula: C20H28N5O10P-2 MolecularWeight: 529.437581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)OCC(COC(=O)OC(C)C)(OC1(CC1)CN2C=NC3=C2N=CN=C3N)P(=O)([O-])[O-]

Isomeric SMILES

CC(C)OC(=O)OCC(COC(=O)OC(C)C)(OC1(CC1)CN2C=NC3=C2N=CN=C3N)P(=O)([O-])[O-]

InChI

InChI=1S/C20H30N5O10P/c1-12(2)33-17(26)31-8-20(36(28,29)30,9-32-18(27)34-13(3)4)35-19(5-6-19)7-25-11-24-14-15(21)22-10-23-16(14)25/h10-13H,5-9H2,1-4H3,(H2,21,22,23)(H2,28,29,30)/p-2