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

Systemtic Name: 7-[(3-bromanyl-4-methoxy-phenyl)methyl]-1,3-diethyl-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione Openeye Name: 7-[(3-bromo-4-methoxy-phenyl)methyl]-1,3-diethyl-8-[(2-hydroxycyclopentyl)amino]purine-2,6-dione CAS Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-1,3-diethyl-8-[(2-hydroxycyclopentyl)amino]purine-2,6-dione IUPAC Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-1,3-diethyl-8-[(2-hydroxycyclopentyl)amino]purine-2,6-dione Traditional Name: 7-(3-bromo-4-methoxy-benzyl)-1,3-diethyl-8-[(2-hydroxycyclopentyl)amino]xanthine Formula: C22H28BrN5O4 MolecularWeight: 506.39282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCC3O)CC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCC3O)CC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C22H28BrN5O4/c1-4-26-19-18(20(30)27(5-2)22(26)31)28(12-13-9-10-17(32-3)14(23)11-13)21(25-19)24-15-7-6-8-16(15)29/h9-11,15-16,29H,4-8,12H2,1-3H3,(H,24,25)