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

Systemtic Name: 7-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione Openeye Name: 7-[(3-bromo-4-hydroxy-phenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione CAS Name: 7-[(3-bromo-4-hydroxyphenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione IUPAC Name: 7-[(3-bromo-4-hydroxyphenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione Traditional Name: 7-(3-bromo-4-hydroxy-benzyl)-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)xanthine Formula: C22H28BrN5O4 MolecularWeight: 506.39282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)O)Br)NC4CCCCC4)N(C1=O)CCO

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)O)Br)NC4CCCCC4)N(C1=O)CCO

InChI

InChI=1S/C22H28BrN5O4/c1-2-26-20(31)18-19(27(10-11-29)22(26)32)25-21(24-15-6-4-3-5-7-15)28(18)13-14-8-9-17(30)16(23)12-14/h8-9,12,15,29-30H,2-7,10-11,13H2,1H3,(H,24,25)