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

Systemtic Name: 8-bromanyl-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-keto-2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C16H15BrN4O4 MolecularWeight: 407.2187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O4/c1-19-13-12(14(23)20(2)16(19)24)21(15(17)18-13)8-11(22)9-5-4-6-10(7-9)25-3/h4-7H,8H2,1-3H3