8-bromanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C16H17BrN4O3/c1-19-13-12(14(22)20(2)16(19)23)21(15(17)18-13)9-8-10-4-6-11(24-3)7-5-10/h4-7H,8-9H2,1-3H3