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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CN1C2=C(N=C1OCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

InChI

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