8-bromanyl-7-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2-chlorophenyl)methyl]-1-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2-chlorophenyl)methyl]-1-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-chlorobenzyl)-1-ethyl-3-methyl-xanthine Formula: C15H14BrClN4O2 MolecularWeight: 397.65426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Br)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Br)N(C1=O)C

InChI

InChI=1S/C15H14BrClN4O2/c1-3-20-13(22)11-12(19(2)15(20)23)18-14(16)21(11)8-9-6-4-5-7-10(9)17/h4-7H,3,8H2,1-2H3