8-[(4-bromophenyl)methyl]-1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-[(4-bromophenyl)methyl]-1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(4-bromophenyl)methyl]-1-(2,2-dimethylpropyl)-3-isobutyl-7H-purine-2,6-dione CAS Name: 8-[(4-bromophenyl)methyl]-1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(4-bromophenyl)methyl]-1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(4-bromobenzyl)-3-isobutyl-1-neopentyl-7H-purine-2,6-quinone Formula: C21H27BrN4O2 MolecularWeight: 447.36868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN4O2/c1-13(2)11-25-18-17(19(27)26(20(25)28)12-21(3,4)5)23-16(24-18)10-14-6-8-15(22)9-7-14/h6-9,13H,10-12H2,1-5H3,(H,23,24)