8-[(E)-2-(4-bromophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(4-bromophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-bromophenyl)vinyl]-1,3-diethyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(4-bromophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(4-bromophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(4-bromophenyl)vinyl]-1,3-diethyl-7H-purine-2,6-quinone Formula: C17H17BrN4O2 MolecularWeight: 389.24648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN4O2/c1-3-21-15-14(16(23)22(4-2)17(21)24)19-13(20-15)10-7-11-5-8-12(18)9-6-11/h5-10H,3-4H2,1-2H3,(H,19,20)/b10-7+