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

Systemtic Name: 3-methyl-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]-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-3-methyl-8-morpholino-xanthine Formula: C23H31N5O5 MolecularWeight: 457.52274

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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)NC3=O)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@H](CN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C23H31N5O5/c1-14(2)17-6-5-15(3)11-18(17)33-13-16(29)12-28-19-20(26(4)23(31)25-21(19)30)24-22(28)27-7-9-32-10-8-27/h5-6,11,14,16,29H,7-10,12-13H2,1-4H3,(H,25,30,31)/t16-/m0/s1