8-[(E)-2-(3-bromanyl-4-methoxy-phenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3-bromanyl-4-methoxy-phenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-1,3,7-trimethyl-xanthine Formula: C17H17BrN4O3 MolecularWeight: 405.24588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C17H17BrN4O3/c1-20-13(8-6-10-5-7-12(25-4)11(18)9-10)19-15-14(20)16(23)22(3)17(24)21(15)2/h5-9H,1-4H3/b8-6+