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

Systemtic Name: 8-[(E)-2-(4-bromophenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-bromophenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(4-bromophenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(4-bromophenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(E)-2-(4-bromophenyl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C18H19BrN4O2 MolecularWeight: 403.27306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)11-8-12-6-9-13(19)10-7-12/h6-11H,4-5H2,1-3H3/b11-8+