8-(2-bromanyl-1,2-diphenyl-ethyl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(2-bromanyl-1,2-diphenyl-ethyl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(2-bromo-1,2-diphenyl-ethyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(2-bromo-1,2-diphenylethyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(2-bromo-1,2-diphenylethyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(2-bromo-1,2-diphenyl-ethyl)-1,3,7-trimethyl-xanthine Formula: C22H21BrN4O2 MolecularWeight: 453.33174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C(C3=CC=CC=C3)C(C4=CC=CC=C4)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C(C3=CC=CC=C3)C(C4=CC=CC=C4)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H21BrN4O2/c1-25-18-20(26(2)22(29)27(3)21(18)28)24-19(25)16(14-10-6-4-7-11-14)17(23)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3