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

Systemtic Name: 8-[(4-bromophenyl)methyl]-1-cyclobutyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(4-bromophenyl)methyl]-1-cyclobutyl-3-isobutyl-7H-purine-2,6-dione CAS Name: 8-[(4-bromophenyl)methyl]-1-cyclobutyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(4-bromophenyl)methyl]-1-cyclobutyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(4-bromobenzyl)-1-cyclobutyl-3-isobutyl-7H-purine-2,6-quinone Formula: C20H23BrN4O2 MolecularWeight: 431.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C3CCC3)NC(=N2)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C3CCC3)NC(=N2)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H23BrN4O2/c1-12(2)11-24-18-17(19(26)25(20(24)27)15-4-3-5-15)22-16(23-18)10-13-6-8-14(21)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,22,23)