[2-[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]cyclopropyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-phosphonato-propyl] tert-butyl carbonate

Systemtic Name: [2-[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]cyclopropyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-phosphonato-propyl] tert-butyl carbonate Openeye Name: [2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropoxy]-3-tert-butoxycarbonyloxy-2-phosphonato-propyl] tert-butyl carbonate CAS Name: carbonic acid [2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]oxy-3-[(2-methylpropan-2-yl)oxy-oxomethoxy]-2-phosphonatopropyl] tert-butyl ester IUPAC Name: [2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-phosphonatopropyl] tert-butyl carbonate Traditional Name: carbonic acid [2-[1-[(2-amino-6-keto-3H-purin-9-yl)methyl]cyclopropoxy]-3-tert-butoxycarbonyloxy-2-phosphonato-propyl] tert-butyl ester Formula: C22H32N5O11P-2 MolecularWeight: 573.490141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N5O11P/c1-19(2,3)36-17(29)34-10-22(39(31,32)33,11-35-18(30)37-20(4,5)6)38-21(7-8-21)9-27-12-24-13-14(27)25-16(23)26-15(13)28/h12H,7-11H2,1-6H3,(H2,31,32,33)(H3,23,25,26,28)/p-2