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

Systemtic Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-piperidin-1-ylpropyl)purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[3-(1-piperidyl)propyl]purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[3-(1-piperidinyl)propyl]purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-piperidin-1-ylpropyl)purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-1,3-dimethyl-8-(3-piperidinopropyl)xanthine Formula: C22H28BrN5O2 MolecularWeight: 474.39402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCCN3CCCCC3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCCN3CCCCC3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H28BrN5O2/c1-25-20-19(21(29)26(2)22(25)30)28(15-16-8-6-9-17(23)14-16)18(24-20)10-7-13-27-11-4-3-5-12-27/h6,8-9,14H,3-5,7,10-13,15H2,1-2H3