1-[(4-bromophenyl)methyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(4-bromophenyl)methyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(4-bromophenyl)methyl]-7-isopentyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(4-bromophenyl)methyl]-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-benzyl-1-(4-bromobenzyl)-7-isoamyl-xanthine Formula: C24H25BrN4O2 MolecularWeight: 481.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H25BrN4O2/c1-17(2)12-13-27-16-26-22-21(27)23(30)29(15-19-8-10-20(25)11-9-19)24(31)28(22)14-18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3