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

Systemtic Name: 8-[(E)-2-(3-bromanyl-4-methoxy-phenyl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H15BrN4O3 MolecularWeight: 391.2193

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C=CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O3/c1-20-14-13(15(22)21(2)16(20)23)18-12(19-14)7-5-9-4-6-11(24-3)10(17)8-9/h4-8H,1-3H3,(H,18,19)/b7-5+