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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-p-anisyl-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)OC)NC4CCCCC4)N(C1=O)CCO

Isomeric SMILES

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

InChI

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