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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(3-methyl-4-oxidanyl-phenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-hydroxy-3-methyl-phenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-hydroxy-3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-hydroxy-3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-(4-hydroxy-3-methyl-benzyl)xanthine Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O4/c1-3-26-21(31)19-20(27(11-12-29)23(26)32)25-22(24-17-7-5-4-6-8-17)28(19)14-16-9-10-18(30)15(2)13-16/h9-10,13,17,29-30H,3-8,11-12,14H2,1-2H3,(H,24,25)