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

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-(2-hydroxypropylamino)-1,3-dimethyl-xanthine Formula: C17H20BrN5O3 MolecularWeight: 422.2764

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CC3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(CNC1=NC2=C(N1CC3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C17H20BrN5O3/c1-10(24)8-19-16-20-14-13(15(25)22(3)17(26)21(14)2)23(16)9-11-4-6-12(18)7-5-11/h4-7,10,24H,8-9H2,1-3H3,(H,19,20)