(2S)-1-(2-azanyl-6-phenylmethoxy-purin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]propan-2-ol

Systemtic Name: (2S)-1-(2-azanyl-6-phenylmethoxy-purin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]propan-2-ol Openeye Name: (2S)-1-(2-amino-6-benzyloxy-purin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]propan-2-ol CAS Name: (2S)-1-(2-amino-6-phenylmethoxy-9-purinyl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-propanol IUPAC Name: (2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-ol Traditional Name: (2S)-1-(2-amino-6-benzoxy-purin-9-yl)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]propan-2-ol Formula: C36H35N5O5 MolecularWeight: 617.6936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC(CN4C=NC5=C4N=C(N=C5OCC6=CC=CC=C6)N)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@H](CN4C=NC5=C4N=C(N=C5OCC6=CC=CC=C6)N)O

InChI

InChI=1S/C36H35N5O5/c1-43-30-17-13-27(14-18-30)36(26-11-7-4-8-12-26,28-15-19-31(44-2)20-16-28)46-23-29(42)21-41-24-38-32-33(41)39-35(37)40-34(32)45-22-25-9-5-3-6-10-25/h3-20,24,29,42H,21-23H2,1-2H3,(H2,37,39,40)/t29-/m0/s1