7-[(4-bromophenyl)methyl]-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethyl-xanthine Formula: C24H23BrN6O2 MolecularWeight: 507.38242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C24H23BrN6O2/c1-29-21-20(22(32)30(2)24(29)33)31(14-15-7-9-17(25)10-8-15)23(28-21)26-12-11-16-13-27-19-6-4-3-5-18(16)19/h3-10,13,27H,11-12,14H2,1-2H3,(H,26,28)