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

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-[2-(2-hydroxyethyloxy)ethylamino]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-[2-(2-hydroxyethoxy)ethylamino]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-[2-(2-hydroxyethoxy)ethylamino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-[2-(2-hydroxyethoxy)ethylamino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-[2-(2-hydroxyethoxy)ethylamino]-1,3-dimethyl-xanthine Formula: C18H22BrN5O4 MolecularWeight: 452.30238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN5O4/c1-22-15-14(16(26)23(2)18(22)27)24(11-12-3-5-13(19)6-4-12)17(21-15)20-7-9-28-10-8-25/h3-6,25H,7-11H2,1-2H3,(H,20,21)