8-bromanyl-9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dimethyl-xanthine Formula: C17H19BrN4O3 MolecularWeight: 407.26176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C

InChI

InChI=1S/C17H19BrN4O3/c1-10-7-11(2)9-12(8-10)25-6-5-22-14-13(19-16(22)18)15(23)21(4)17(24)20(14)3/h7-9H,5-6H2,1-4H3