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

Systemtic Name: 7-[(3-bromanyl-4-methyl-phenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione Openeye Name: 7-[(3-bromo-4-methyl-phenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione CAS Name: 7-[(3-bromo-4-methylphenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione IUPAC Name: 7-[(3-bromo-4-methylphenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione Traditional Name: 7-(3-bromo-4-methyl-benzyl)-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)xanthine Formula: C23H30BrN5O3 MolecularWeight: 504.42

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrN5O3/c1-3-27-21(31)19-20(28(11-12-30)23(27)32)26-22(25-17-7-5-4-6-8-17)29(19)14-16-10-9-15(2)18(24)13-16/h9-10,13,17,30H,3-8,11-12,14H2,1-2H3,(H,25,26)