8-(cyclohexylamino)-1,3-diethyl-7-[(2-fluorophenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(2-fluorophenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(2-fluorophenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(2-fluorophenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(2-fluorophenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1,3-diethyl-7-(2-fluorobenzyl)xanthine Formula: C22H28FN5O2 MolecularWeight: 413.488423

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC=CC=C4F

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H28FN5O2/c1-3-26-19-18(20(29)27(4-2)22(26)30)28(14-15-10-8-9-13-17(15)23)21(25-19)24-16-11-6-5-7-12-16/h8-10,13,16H,3-7,11-12,14H2,1-2H3,(H,24,25)