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

Systemtic Name: 7-[(3-bromanyl-4-methyl-phenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione Openeye Name: 7-[(3-bromo-4-methyl-phenyl)methyl]-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione CAS Name: 7-[(3-bromo-4-methylphenyl)methyl]-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione IUPAC Name: 7-[(3-bromo-4-methylphenyl)methyl]-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione Traditional Name: 7-(3-bromo-4-methyl-benzyl)-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-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)C)Br)NC4CCCC4O)N(C1=O)CCO

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)C)Br)NC4CCCC4O)N(C1=O)CCO

InChI

InChI=1S/C22H28BrN5O4/c1-3-26-20(31)18-19(27(9-10-29)22(26)32)25-21(24-16-5-4-6-17(16)30)28(18)12-14-8-7-13(2)15(23)11-14/h7-8,11,16-17,29-30H,3-6,9-10,12H2,1-2H3,(H,24,25)