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

Systemtic Name: 8-[5-(2-bromophenyl)furan-2-yl]-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 8-[5-(2-bromophenyl)-2-furyl]-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 8-[5-(2-bromophenyl)-2-furanyl]-3-butyl-7-ethylpurine-2,6-dione IUPAC Name: 8-[5-(2-bromophenyl)furan-2-yl]-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-[5-(2-bromophenyl)-2-furyl]-3-butyl-7-ethyl-xanthine Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=CC=C4Br)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=CC=C4Br)CC

InChI

InChI=1S/C21H21BrN4O3/c1-3-5-12-26-19-17(20(27)24-21(26)28)25(4-2)18(23-19)16-11-10-15(29-16)13-8-6-7-9-14(13)22/h6-11H,3-5,12H2,1-2H3,(H,24,27,28)