8-(bromomethyl)-7-phenacyl-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-(bromomethyl)-7-phenacyl-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-(bromomethyl)-7-phenacyl-1-propyl-purine-2,6-dione CAS Name: 8-(bromomethyl)-7-phenacyl-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-(bromomethyl)-7-phenacyl-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-(bromomethyl)-7-phenacyl-1-propyl-xanthine Formula: C24H23BrN4O3 MolecularWeight: 495.36842

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3=CC=CC=C3)CBr)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC(=O)C3=CC=CC=C3)CBr)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H23BrN4O3/c1-2-13-27-23(31)21-22(29(24(27)32)15-17-9-5-3-6-10-17)26-20(14-25)28(21)16-19(30)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3