[2-[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-2-methyl-cyclopropyl]oxy-2-phosphonato-3-propan-2-yloxycarbonyloxy-propyl] propan-2-yl carbonate

Systemtic Name: [2-[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-2-methyl-cyclopropyl]oxy-2-phosphonato-3-propan-2-yloxycarbonyloxy-propyl] propan-2-yl carbonate Openeye Name: [2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-methyl-cyclopropoxy]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl carbonate CAS Name: carbonic acid [2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-methylcyclopropyl]oxy-3-[oxo(propan-2-yloxy)methoxy]-2-phosphonatopropyl] propan-2-yl ester IUPAC Name: [2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-methylcyclopropyl]oxy-2-phosphonato-3-propan-2-yloxycarbonyloxypropyl] propan-2-yl carbonate Traditional Name: carbonic acid [2-[1-[(2-amino-6-keto-3H-purin-9-yl)methyl]-2-methyl-cyclopropoxy]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl ester Formula: C21H30N5O11P-2 MolecularWeight: 559.463561

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1(CN2C=NC3=C2NC(=NC3=O)N)OC(COC(=O)OC(C)C)(COC(=O)OC(C)C)P(=O)([O-])[O-]

Isomeric SMILES

CC1CC1(CN2C=NC3=C2NC(=NC3=O)N)OC(COC(=O)OC(C)C)(COC(=O)OC(C)C)P(=O)([O-])[O-]

InChI

InChI=1S/C21H32N5O11P/c1-11(2)35-18(28)33-8-21(38(30,31)32,9-34-19(29)36-12(3)4)37-20(6-13(20)5)7-26-10-23-14-15(26)24-17(22)25-16(14)27/h10-13H,6-9H2,1-5H3,(H2,30,31,32)(H3,22,24,25,27)/p-2