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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl]-5-ethyl-2-(oxan-4-ylamino)-7,8-dihydroimidazo[2,1-b]purin-4-one Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl]-5-ethyl-2-(tetrahydropyran-4-ylamino)-7,8-dihydroimidazo[2,1-b]purin-4-one CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-5-ethyl-2-(4-oxanylamino)-7,8-dihydroimidazo[2,1-b]purin-4-one IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-5-ethyl-2-(oxan-4-ylamino)-7,8-dihydroimidazo[2,1-b]purin-4-one Traditional Name: 3-(3-bromo-4-methoxy-benzyl)-5-ethyl-2-(tetrahydropyran-4-ylamino)-7,8-dihydroimidazo[2,1-b]purin-4-one Formula: C22H27BrN6O3 MolecularWeight: 503.39218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN6O3/c1-3-27-20(30)18-19(28-9-8-24-22(27)28)26-21(25-15-6-10-32-11-7-15)29(18)13-14-4-5-17(31-2)16(23)12-14/h4-5,12,15H,3,6-11,13H2,1-2H3,(H,25,26)