8-[5-(2-bromophenyl)furan-2-yl]-7-butyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[5-(2-bromophenyl)furan-2-yl]-7-butyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-[5-(2-bromophenyl)-2-furyl]-7-butyl-purine-2,6-dione CAS Name: 8-[5-(2-bromophenyl)-2-furanyl]-7-butyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-[5-(2-bromophenyl)furan-2-yl]-7-butylpurine-2,6-dione Traditional Name: 3-benzyl-8-[5-(2-bromophenyl)-2-furyl]-7-butyl-xanthine Formula: C26H23BrN4O3 MolecularWeight: 519.38982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC=C(O3)C4=CC=CC=C4Br)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC=C(O3)C4=CC=CC=C4Br)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H23BrN4O3/c1-2-3-15-30-22-24(31(26(33)29-25(22)32)16-17-9-5-4-6-10-17)28-23(30)21-14-13-20(34-21)18-11-7-8-12-19(18)27/h4-14H,2-3,15-16H2,1H3,(H,29,32,33)