8-[(E)-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)vinyl]-1,3-diethyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)vinyl]-1,3-diethyl-7H-purine-2,6-quinone Formula: C19H21BrN4O4 MolecularWeight: 449.29844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C=CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C19H21BrN4O4/c1-5-23-17-16(18(25)24(6-2)19(23)26)21-15(22-17)8-7-11-9-13(27-3)14(28-4)10-12(11)20/h7-10H,5-6H2,1-4H3,(H,21,22)/b8-7+