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

Systemtic Name: 8-bromanyl-7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C16H17BrN4O5 MolecularWeight: 425.23398

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O5/c1-20-13-12(14(23)19-16(20)24)21(15(17)18-13)7-9(22)8-26-11-5-3-10(25-2)4-6-11/h3-6,9,22H,7-8H2,1-2H3,(H,19,23,24)/t9-/m1/s1