8-bromanyl-7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C15H14BrClN4O4 MolecularWeight: 429.65306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)C[C@H](COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C15H14BrClN4O4/c1-20-12-11(13(23)19-15(20)24)21(14(16)18-12)6-9(22)7-25-10-4-2-8(17)3-5-10/h2-5,9,22H,6-7H2,1H3,(H,19,23,24)/t9-/m1/s1