8-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)phenyl]-7H-purine

Systemtic Name: 8-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)phenyl]-7H-purine Openeye Name: 8-[3-[(1S)-2-methoxy-1-methyl-ethoxy]-5-(4-methylsulfonylphenoxy)phenyl]-7H-purine CAS Name: 8-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)phenyl]-7H-purine IUPAC Name: 8-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)phenyl]-7H-purine Traditional Name: 8-[3-(4-mesylphenoxy)-5-[(1S)-2-methoxy-1-methyl-ethoxy]phenyl]-7H-purine Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C3=NC4=NC=NC=C4N3

Isomeric SMILES

C[C@@H](COC)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C22H22N4O5S/c1-14(12-29-2)30-17-8-15(21-25-20-11-23-13-24-22(20)26-21)9-18(10-17)31-16-4-6-19(7-5-16)32(3,27)28/h4-11,13-14H,12H2,1-3H3,(H,23,24,25,26)/t14-/m0/s1