7-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)-8-(oxan-4-ylamino)purine-2,6-dione

Systemtic Name: 7-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)-8-(oxan-4-ylamino)purine-2,6-dione Openeye Name: 7-[(3-bromo-4-methoxy-phenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)-8-(tetrahydropyran-4-ylamino)purine-2,6-dione CAS Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)-8-(4-oxanylamino)purine-2,6-dione IUPAC Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)-8-(oxan-4-ylamino)purine-2,6-dione Traditional Name: 7-(3-bromo-4-methoxy-benzyl)-1-ethyl-3-(2-hydroxyethyl)-8-(tetrahydropyran-4-ylamino)xanthine Formula: C22H28BrN5O5 MolecularWeight: 522.39222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4CCOCC4)N(C1=O)CCO

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4CCOCC4)N(C1=O)CCO

InChI

InChI=1S/C22H28BrN5O5/c1-3-26-20(30)18-19(27(8-9-29)22(26)31)25-21(24-15-6-10-33-11-7-15)28(18)13-14-4-5-17(32-2)16(23)12-14/h4-5,12,15,29H,3,6-11,13H2,1-2H3,(H,24,25)