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

Systemtic Name: 7-[(3-bromanyl-4-methoxy-phenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione Openeye Name: 7-[(3-bromo-4-methoxy-phenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione CAS Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione IUPAC Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione Traditional Name: 7-(3-bromo-4-methoxy-benzyl)-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)xanthine Formula: C23H30BrN5O4 MolecularWeight: 520.4194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrN5O4/c1-3-27-21(31)19-20(28(11-12-30)23(27)32)26-22(25-16-7-5-4-6-8-16)29(19)14-15-9-10-18(33-2)17(24)13-15/h9-10,13,16,30H,3-8,11-12,14H2,1-2H3,(H,25,26)