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

Systemtic Name: 8-[(4-bromophenyl)methyl]-1-(3-methylimidazol-4-yl)-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(4-bromophenyl)methyl]-3-isobutyl-1-(3-methylimidazol-4-yl)-7H-purine-2,6-dione CAS Name: 8-[(4-bromophenyl)methyl]-1-(3-methyl-4-imidazolyl)-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(4-bromophenyl)methyl]-1-(3-methylimidazol-4-yl)-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(4-bromobenzyl)-3-isobutyl-1-(3-methylimidazol-4-yl)-7H-purine-2,6-quinone Formula: C20H21BrN6O2 MolecularWeight: 457.32374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C3=CN=CN3C)NC(=N2)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C3=CN=CN3C)NC(=N2)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H21BrN6O2/c1-12(2)10-26-18-17(19(28)27(20(26)29)16-9-22-11-25(16)3)23-15(24-18)8-13-4-6-14(21)7-5-13/h4-7,9,11-12H,8,10H2,1-3H3,(H,23,24)