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

Systemtic Name: ditert-butyl [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-oxidanyl-propyl] phosphate Openeye Name: ditert-butyl [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-hydroxy-propyl] phosphate CAS Name: phosphoric acid ditert-butyl [2-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-3-hydroxypropyl] ester IUPAC Name: ditert-butyl [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-hydroxypropyl] phosphate Traditional Name: phosphoric acid ditert-butyl [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-hydroxy-propyl] ester Formula: C18H31ClN5O5P MolecularWeight: 463.896001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31ClN5O5P/c1-17(2,3)28-30(26,29-18(4,5)6)27-10-12(9-25)8-24-11-21-13-14(20-7)22-16(19)23-15(13)24/h11-12,25H,8-10H2,1-7H3,(H,20,22,23)