7-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@H](CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C20H26N4O4/c1-20(2,3)13-6-8-15(9-7-13)28-11-14(25)10-24-12-21-17-16(24)18(26)23(5)19(27)22(17)4/h6-9,12,14,25H,10-11H2,1-5H3/t14-/m0/s1