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

Systemtic Name: 7-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)-8-[(2-oxidanylcyclohexyl)amino]purine-2,6-dione Openeye Name: 7-[(3-bromo-4-methoxy-phenyl)methyl]-1-ethyl-8-[(2-hydroxycyclohexyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione CAS Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-8-[(2-hydroxycyclohexyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione IUPAC Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-8-[(2-hydroxycyclohexyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione Traditional Name: 7-(3-bromo-4-methoxy-benzyl)-1-ethyl-8-[(2-hydroxycyclohexyl)amino]-3-(2-hydroxyethyl)xanthine Formula: C23H30BrN5O5 MolecularWeight: 536.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4CCCCC4O)N(C1=O)CCO

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4CCCCC4O)N(C1=O)CCO

InChI

InChI=1S/C23H30BrN5O5/c1-3-27-21(32)19-20(28(10-11-30)23(27)33)26-22(25-16-6-4-5-7-17(16)31)29(19)13-14-8-9-18(34-2)15(24)12-14/h8-9,12,16-17,30-31H,3-7,10-11,13H2,1-2H3,(H,25,26)