3-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-2-(cyclohexylamino)-5-ethyl-7,8-dihydroimidazo[2,1-b]purin-4-one

Systemtic Name: 3-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-2-(cyclohexylamino)-5-ethyl-7,8-dihydroimidazo[2,1-b]purin-4-one Openeye Name: 3-[(3-bromo-4-hydroxy-phenyl)methyl]-2-(cyclohexylamino)-5-ethyl-7,8-dihydroimidazo[2,1-b]purin-4-one CAS Name: 3-[(3-bromo-4-hydroxyphenyl)methyl]-2-(cyclohexylamino)-5-ethyl-7,8-dihydroimidazo[2,1-b]purin-4-one IUPAC Name: 3-[(3-bromo-4-hydroxyphenyl)methyl]-2-(cyclohexylamino)-5-ethyl-7,8-dihydroimidazo[2,1-b]purin-4-one Traditional Name: 3-(3-bromo-4-hydroxy-benzyl)-2-(cyclohexylamino)-5-ethyl-7,8-dihydroimidazo[2,1-b]purin-4-one Formula: C22H27BrN6O2 MolecularWeight: 487.39278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)O)Br)NC4CCCCC4)N5C1=NCC5

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)O)Br)NC4CCCCC4)N5C1=NCC5

InChI

InChI=1S/C22H27BrN6O2/c1-2-27-20(31)18-19(28-11-10-24-22(27)28)26-21(25-15-6-4-3-5-7-15)29(18)13-14-8-9-17(30)16(23)12-14/h8-9,12,15,30H,2-7,10-11,13H2,1H3,(H,25,26)