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

Systemtic Name: 8-bromanyl-7-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-chlorobenzyl)-1-(2-hydroxyethyl)-3-methyl-xanthine Formula: C15H14BrClN4O3 MolecularWeight: 413.65366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCO)N(C(=N2)Br)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCO)N(C(=N2)Br)CC3=CC=CC=C3Cl

InChI

InChI=1S/C15H14BrClN4O3/c1-19-12-11(13(23)20(6-7-22)15(19)24)21(14(16)18-12)8-9-4-2-3-5-10(9)17/h2-5,22H,6-8H2,1H3