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

Systemtic Name: 1-[(4-bromophenyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(4-bromophenyl)methyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(4-bromophenyl)methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-(4-bromobenzyl)-7-ethyl-xanthine Formula: C21H19BrN4O2 MolecularWeight: 439.30516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O2/c1-2-24-14-23-19-18(24)20(27)26(13-16-8-10-17(22)11-9-16)21(28)25(19)12-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3