7-[(2S)-3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2S)-3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C16H17BrN4O4 MolecularWeight: 409.23458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC3=CC(=CC=C3)Br)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@@H](COC3=CC(=CC=C3)Br)O

InChI

InChI=1S/C16H17BrN4O4/c1-19-14-13(15(23)20(2)16(19)24)21(9-18-14)7-11(22)8-25-12-5-3-4-10(17)6-12/h3-6,9,11,22H,7-8H2,1-2H3/t11-/m0/s1