7-[(4-bromophenyl)methyl]-8-(furan-2-ylmethoxy)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-(furan-2-ylmethoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-(2-furylmethoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-(2-furanylmethoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-(furan-2-ylmethoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-(2-furfuryloxy)-1,3-dimethyl-xanthine Formula: C19H17BrN4O4 MolecularWeight: 445.26668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CC=CO3)CC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CC=CO3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H17BrN4O4/c1-22-16-15(17(25)23(2)19(22)26)24(10-12-5-7-13(20)8-6-12)18(21-16)28-11-14-4-3-9-27-14/h3-9H,10-11H2,1-2H3