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

Systemtic Name: [2-[1-[(6-aminopurin-9-yl)methyl]-2,2-dimethyl-cyclopropyl]oxy-2-phosphonato-3-propan-2-yloxycarbonyloxy-propyl] propan-2-yl carbonate Openeye Name: [2-[1-[(6-aminopurin-9-yl)methyl]-2,2-dimethyl-cyclopropoxy]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl carbonate CAS Name: carbonic acid [2-[1-[(6-aminopurin-9-yl)methyl]-2,2-dimethylcyclopropyl]oxy-3-[oxo(propan-2-yloxy)methoxy]-2-phosphonatopropyl] propan-2-yl ester IUPAC Name: [2-[1-[(6-aminopurin-9-yl)methyl]-2,2-dimethylcyclopropyl]oxy-2-phosphonato-3-propan-2-yloxycarbonyloxypropyl] propan-2-yl carbonate Traditional Name: carbonic acid [2-[1-(adenin-9-ylmethyl)-2,2-dimethyl-cyclopropoxy]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl ester Formula: C22H32N5O10P-2 MolecularWeight: 557.490741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N5O10P/c1-13(2)35-18(28)33-9-22(38(30,31)32,10-34-19(29)36-14(3)4)37-21(7-20(21,5)6)8-27-12-26-15-16(23)24-11-25-17(15)27/h11-14H,7-10H2,1-6H3,(H2,23,24,25)(H2,30,31,32)/p-2