8-bromanyl-7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[2-(4-bromophenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-(4-bromophenyl)-2-keto-ethyl]-3-methyl-xanthine Formula: C14H10Br2N4O3 MolecularWeight: 442.0622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H10Br2N4O3/c1-19-11-10(12(22)18-14(19)23)20(13(16)17-11)6-9(21)7-2-4-8(15)5-3-7/h2-5H,6H2,1H3,(H,18,22,23)