7-[(4-bromophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C16H18BrN5O3 MolecularWeight: 408.24982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H18BrN5O3/c1-20-13-12(14(24)21(2)16(20)25)22(15(19-13)18-7-8-23)9-10-3-5-11(17)6-4-10/h3-6,23H,7-9H2,1-2H3,(H,18,19)