8-bromanyl-3,7-dimethyl-1-[(2S)-2-oxidanyl-2-phenyl-ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-3,7-dimethyl-1-[(2S)-2-oxidanyl-2-phenyl-ethyl]purine-2,6-dione Openeye Name: 8-bromo-1-[(2S)-2-hydroxy-2-phenyl-ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1-[(2S)-2-hydroxy-2-phenylethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-1-[(2S)-2-hydroxy-2-phenylethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-bromo-1-[(2S)-2-hydroxy-2-phenyl-ethyl]-3,7-dimethyl-xanthine Formula: C15H15BrN4O3 MolecularWeight: 379.2086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN4O3/c1-18-11-12(17-14(18)16)19(2)15(23)20(13(11)22)8-10(21)9-6-4-3-5-7-9/h3-7,10,21H,8H2,1-2H3/t10-/m1/s1