9-[[(2S)-2,3-bis(phenylmethoxy)propoxy]methyl]-2-chloranyl-6-phenylmethoxy-purine

Systemtic Name: 9-[[(2S)-2,3-bis(phenylmethoxy)propoxy]methyl]-2-chloranyl-6-phenylmethoxy-purine Openeye Name: 6-benzyloxy-2-chloro-9-[[(2S)-2,3-dibenzyloxypropoxy]methyl]purine CAS Name: 9-[[(2S)-2,3-bis(phenylmethoxy)propoxy]methyl]-2-chloro-6-phenylmethoxypurine IUPAC Name: 9-[[(2S)-2,3-bis(phenylmethoxy)propoxy]methyl]-2-chloro-6-phenylmethoxypurine Traditional Name: 6-benzoxy-2-chloro-9-[[(2S)-2,3-dibenzoxypropoxy]methyl]purine Formula: C30H29ClN4O4 MolecularWeight: 545.02866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(COCN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)Cl)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H](COCN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C30H29ClN4O4/c31-30-33-28-27(29(34-30)39-18-25-14-8-3-9-15-25)32-21-35(28)22-37-20-26(38-17-24-12-6-2-7-13-24)19-36-16-23-10-4-1-5-11-23/h1-15,21,26H,16-20,22H2/t26-/m0/s1