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

Systemtic Name: 1-(1,3-benzodioxol-4-ylmethyl)-8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 1-(1,3-benzodioxol-4-ylmethyl)-8-[(4-bromophenyl)methyl]-3-isobutyl-7H-purine-2,6-dione CAS Name: 1-(1,3-benzodioxol-4-ylmethyl)-8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 1-(1,3-benzodioxol-4-ylmethyl)-8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 1-(1,3-benzodioxol-4-ylmethyl)-8-(4-bromobenzyl)-3-isobutyl-7H-purine-2,6-quinone Formula: C24H23BrN4O4 MolecularWeight: 511.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC3=C4C(=CC=C3)OCO4)NC(=N2)CC5=CC=C(C=C5)Br

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC3=C4C(=CC=C3)OCO4)NC(=N2)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C24H23BrN4O4/c1-14(2)11-28-22-20(26-19(27-22)10-15-6-8-17(25)9-7-15)23(30)29(24(28)31)12-16-4-3-5-18-21(16)33-13-32-18/h3-9,14H,10-13H2,1-2H3,(H,26,27)