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

Systemtic Name: 3-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-5-ethyl-2-(oxan-4-ylamino)-7,8-dihydroimidazo[2,1-b]purin-4-one Openeye Name: 3-[(3-bromo-4-hydroxy-phenyl)methyl]-5-ethyl-2-(tetrahydropyran-4-ylamino)-7,8-dihydroimidazo[2,1-b]purin-4-one CAS Name: 3-[(3-bromo-4-hydroxyphenyl)methyl]-5-ethyl-2-(4-oxanylamino)-7,8-dihydroimidazo[2,1-b]purin-4-one IUPAC Name: 3-[(3-bromo-4-hydroxyphenyl)methyl]-5-ethyl-2-(oxan-4-ylamino)-7,8-dihydroimidazo[2,1-b]purin-4-one Traditional Name: 3-(3-bromo-4-hydroxy-benzyl)-5-ethyl-2-(tetrahydropyran-4-ylamino)-7,8-dihydroimidazo[2,1-b]purin-4-one Formula: C21H25BrN6O3 MolecularWeight: 489.3656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)O)Br)NC4CCOCC4)N5C1=NCC5

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)O)Br)NC4CCOCC4)N5C1=NCC5

InChI

InChI=1S/C21H25BrN6O3/c1-2-26-19(30)17-18(27-8-7-23-21(26)27)25-20(24-14-5-9-31-10-6-14)28(17)12-13-3-4-16(29)15(22)11-13/h3-4,11,14,29H,2,5-10,12H2,1H3,(H,24,25)