1,3-dimethyl-7-[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C24H33N5O5 MolecularWeight: 471.54932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(CN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@H](CN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C24H33N5O5/c1-15(2)18-7-6-16(3)12-19(18)34-14-17(30)13-29-20-21(26(4)24(32)27(5)22(20)31)25-23(29)28-8-10-33-11-9-28/h6-7,12,15,17,30H,8-11,13-14H2,1-5H3/t17-/m0/s1