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

Systemtic Name: [2-[1-[(2-azanylpurin-9-yl)methyl]-2-methyl-cyclopropyl]oxy-2-phosphonato-3-propan-2-yloxycarbonyloxy-propyl] propan-2-yl carbonate Openeye Name: [2-[1-[(2-aminopurin-9-yl)methyl]-2-methyl-cyclopropoxy]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl carbonate CAS Name: carbonic acid [2-[1-[(2-amino-9-purinyl)methyl]-2-methylcyclopropyl]oxy-3-[oxo(propan-2-yloxy)methoxy]-2-phosphonatopropyl] propan-2-yl ester IUPAC Name: [2-[1-[(2-aminopurin-9-yl)methyl]-2-methylcyclopropyl]oxy-2-phosphonato-3-propan-2-yloxycarbonyloxypropyl] propan-2-yl carbonate Traditional Name: carbonic acid [2-[1-[(2-aminopurin-9-yl)methyl]-2-methyl-cyclopropoxy]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl ester Formula: C21H30N5O10P-2 MolecularWeight: 543.464161

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1(CN2C=NC3=CN=C(N=C32)N)OC(COC(=O)OC(C)C)(COC(=O)OC(C)C)P(=O)([O-])[O-]

Isomeric SMILES

CC1CC1(CN2C=NC3=CN=C(N=C32)N)OC(COC(=O)OC(C)C)(COC(=O)OC(C)C)P(=O)([O-])[O-]

InChI

InChI=1S/C21H32N5O10P/c1-12(2)34-18(27)32-9-21(37(29,30)31,10-33-19(28)35-13(3)4)36-20(6-14(20)5)8-26-11-24-15-7-23-17(22)25-16(15)26/h7,11-14H,6,8-10H2,1-5H3,(H2,22,23,25)(H2,29,30,31)/p-2