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

Systemtic Name: 8-[(4-bromophenyl)methyl]-1-(2-cyclohexylethyl)-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(4-bromophenyl)methyl]-1-(2-cyclohexylethyl)-3-isobutyl-7H-purine-2,6-dione CAS Name: 8-[(4-bromophenyl)methyl]-1-(2-cyclohexylethyl)-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(4-bromophenyl)methyl]-1-(2-cyclohexylethyl)-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(4-bromobenzyl)-1-(2-cyclohexylethyl)-3-isobutyl-7H-purine-2,6-quinone Formula: C24H31BrN4O2 MolecularWeight: 487.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CCC3CCCCC3)NC(=N2)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CCC3CCCCC3)NC(=N2)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H31BrN4O2/c1-16(2)15-29-22-21(26-20(27-22)14-18-8-10-19(25)11-9-18)23(30)28(24(29)31)13-12-17-6-4-3-5-7-17/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,26,27)