7-[(4-bromophenyl)methyl]-3,9-dimethyl-2-(2-oxidanylpropylamino)purine-6,8-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-3,9-dimethyl-2-(2-oxidanylpropylamino)purine-6,8-dione Openeye Name: 7-[(4-bromophenyl)methyl]-2-(2-hydroxypropylamino)-3,9-dimethyl-purine-6,8-dione CAS Name: 7-[(4-bromophenyl)methyl]-2-(2-hydroxypropylamino)-3,9-dimethylpurine-6,8-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-2-(2-hydroxypropylamino)-3,9-dimethylpurine-6,8-dione Traditional Name: 7-(4-bromobenzyl)-2-(2-hydroxypropylamino)-3,9-dimethyl-purine-6,8-quinone Formula: C17H20BrN5O3 MolecularWeight: 422.2764

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC(=O)C2=C(N1C)N(C(=O)N2CC3=CC=C(C=C3)Br)C)O

Isomeric SMILES

CC(CNC1=NC(=O)C2=C(N1C)N(C(=O)N2CC3=CC=C(C=C3)Br)C)O

InChI

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