ditert-butyl [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-dimethoxyphosphoryloxy-propyl] phosphate

Systemtic Name: ditert-butyl [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-dimethoxyphosphoryloxy-propyl] phosphate Openeye Name: ditert-butyl [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-dimethoxyphosphoryloxy-propyl] phosphate CAS Name: phosphoric acid ditert-butyl [2-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-3-dimethoxyphosphoryloxypropyl] ester IUPAC Name: ditert-butyl [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-dimethoxyphosphoryloxypropyl] phosphate Traditional Name: phosphoric acid ditert-butyl [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-dimethoxyphosphoryloxy-propyl] ester Formula: C20H36ClN5O8P2 MolecularWeight: 571.929062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OP(=O)(OCC(CN1C=NC2=C1N=C(N=C2NC)Cl)COP(=O)(OC)OC)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OP(=O)(OCC(CN1C=NC2=C1N=C(N=C2NC)Cl)COP(=O)(OC)OC)OC(C)(C)C

InChI

InChI=1S/C20H36ClN5O8P2/c1-19(2,3)33-36(28,34-20(4,5)6)32-12-14(11-31-35(27,29-8)30-9)10-26-13-23-15-16(22-7)24-18(21)25-17(15)26/h13-14H,10-12H2,1-9H3,(H,22,24,25)