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

Systemtic Name: 8-[(4-bromophenyl)methyl]-1-(2-ethoxyphenyl)-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(4-bromophenyl)methyl]-1-(2-ethoxyphenyl)-3-isobutyl-7H-purine-2,6-dione CAS Name: 8-[(4-bromophenyl)methyl]-1-(2-ethoxyphenyl)-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(4-bromophenyl)methyl]-1-(2-ethoxyphenyl)-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(4-bromobenzyl)-3-isobutyl-1-o-phenetyl-7H-purine-2,6-quinone Formula: C24H25BrN4O3 MolecularWeight: 497.3843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=C(N=C(N3)CC4=CC=C(C=C4)Br)N(C2=O)CC(C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=C(N=C(N3)CC4=CC=C(C=C4)Br)N(C2=O)CC(C)C

InChI

InChI=1S/C24H25BrN4O3/c1-4-32-19-8-6-5-7-18(19)29-23(30)21-22(28(24(29)31)14-15(2)3)27-20(26-21)13-16-9-11-17(25)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,26,27)