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

Systemtic Name: 8-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxy-phenyl]-7H-purine Openeye Name: 8-[3-benzyloxy-5-[(1S)-2-methoxy-1-methyl-ethoxy]phenyl]-7H-purine CAS Name: 8-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxyphenyl]-7H-purine IUPAC Name: 8-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxyphenyl]-7H-purine Traditional Name: 8-[3-benzoxy-5-[(1S)-2-methoxy-1-methyl-ethoxy]phenyl]-7H-purine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC1=CC(=CC(=C1)OCC2=CC=CC=C2)C3=NC4=NC=NC=C4N3

Isomeric SMILES

C[C@@H](COC)OC1=CC(=CC(=C1)OCC2=CC=CC=C2)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C22H22N4O3/c1-15(12-27-2)29-19-9-17(21-25-20-11-23-14-24-22(20)26-21)8-18(10-19)28-13-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,24,25,26)/t15-/m0/s1