8-bromanyl-9-[3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C17H19BrN4O4 MolecularWeight: 423.26116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCCOC3=CC=C(C=C3)OC)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCCOC3=CC=C(C=C3)OC)Br

InChI

InChI=1S/C17H19BrN4O4/c1-20-14-13(15(23)21(2)17(20)24)19-16(18)22(14)9-4-10-26-12-7-5-11(25-3)6-8-12/h5-8H,4,9-10H2,1-3H3