7-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(3-bromo-4-methoxy-phenyl)-2-keto-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)CC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

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

InChI

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