[2-[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)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]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]cyclopropoxy]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl carbonate CAS Name: carbonic acid [2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]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]cyclopropyl]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]cyclopropoxy]-3-isopropoxycarbonyloxy-2-phosphonato-propyl] isopropyl ester Formula: C20H28N5O11P-2 MolecularWeight: 545.436981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)OCC(COC(=O)OC(C)C)(OC1(CC1)CN2C=NC3=C2NC(=NC3=O)N)P(=O)([O-])[O-]

Isomeric SMILES

CC(C)OC(=O)OCC(COC(=O)OC(C)C)(OC1(CC1)CN2C=NC3=C2NC(=NC3=O)N)P(=O)([O-])[O-]

InChI

InChI=1S/C20H30N5O11P/c1-11(2)34-17(27)32-8-20(37(29,30)31,9-33-18(28)35-12(3)4)36-19(5-6-19)7-25-10-22-13-14(25)23-16(21)24-15(13)26/h10-12H,5-9H2,1-4H3,(H2,29,30,31)(H3,21,23,24,26)/p-2