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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-methoxy-3-methyl-phenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-methoxy-3-methyl-phenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-methoxy-3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-methoxy-3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-(4-methoxy-3-methyl-benzyl)xanthine Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O4/c1-4-27-22(31)20-21(28(12-13-30)24(27)32)26-23(25-18-8-6-5-7-9-18)29(20)15-17-10-11-19(33-3)16(2)14-17/h10-11,14,18,30H,4-9,12-13,15H2,1-3H3,(H,25,26)