7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-piperidin-1-ylphenyl)purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-piperidin-1-ylphenyl)purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[3-(1-piperidyl)phenyl]purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[3-(1-piperidinyl)phenyl]purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-piperidin-1-ylphenyl)purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-1,3-dimethyl-8-(3-piperidinophenyl)xanthine Formula: C25H26BrN5O2 MolecularWeight: 508.41024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC(=CC=C3)N4CCCCC4)CC5=CC(=CC=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC(=CC=C3)N4CCCCC4)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C25H26BrN5O2/c1-28-23-21(24(32)29(2)25(28)33)31(16-17-8-6-10-19(26)14-17)22(27-23)18-9-7-11-20(15-18)30-12-4-3-5-13-30/h6-11,14-15H,3-5,12-13,16H2,1-2H3