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

Systemtic Name: 8-bromanyl-7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-(4-chlorophenyl)-2-keto-ethyl]-3-methyl-xanthine Formula: C14H10BrClN4O3 MolecularWeight: 397.6112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrClN4O3/c1-19-11-10(12(22)18-14(19)23)20(13(15)17-11)6-9(21)7-2-4-8(16)5-3-7/h2-5H,6H2,1H3,(H,18,22,23)