8-bromanyl-3,7-dimethyl-1-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-3,7-dimethyl-1-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-bromo-1-[(2R)-2-hydroxy-3-phenoxy-propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1-[(2R)-2-hydroxy-3-phenoxypropyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-1-[(2R)-2-hydroxy-3-phenoxypropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-bromo-1-[(2R)-2-hydroxy-3-phenoxy-propyl]-3,7-dimethyl-xanthine Formula: C16H17BrN4O4 MolecularWeight: 409.23458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(COC3=CC=CC=C3)O)C

Isomeric SMILES

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C[C@H](COC3=CC=CC=C3)O)C

InChI

InChI=1S/C16H17BrN4O4/c1-19-12-13(18-15(19)17)20(2)16(24)21(14(12)23)8-10(22)9-25-11-6-4-3-5-7-11/h3-7,10,22H,8-9H2,1-2H3/t10-/m1/s1