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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCC(CC3)O)CC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCC(CC3)O)CC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C23H30BrN5O4/c1-4-27-20-19(21(31)28(5-2)23(27)32)29(13-14-6-11-18(33-3)17(24)12-14)22(26-20)25-15-7-9-16(30)10-8-15/h6,11-12,15-16,30H,4-5,7-10,13H2,1-3H3,(H,25,26)