1-(1,3-benzothiazol-6-yl)-9-methyl-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one

Systemtic Name: 1-(1,3-benzothiazol-6-yl)-9-methyl-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one Openeye Name: 1-(1,3-benzothiazol-6-yl)-9-methyl-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one CAS Name: 1-(1,3-benzothiazol-6-yl)-9-methyl-2-[4-(trifluoromethyl)cyclohexyl]-6-purinone IUPAC Name: 1-(1,3-benzothiazol-6-yl)-9-methyl-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one Traditional Name: 1-(1,3-benzothiazol-6-yl)-9-methyl-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one Formula: C20H18F3N5OS MolecularWeight: 433.45003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC4=C(C=C3)N=CS4)C5CCC(CC5)C(F)(F)F

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC4=C(C=C3)N=CS4)C5CCC(CC5)C(F)(F)F

InChI

InChI=1S/C20H18F3N5OS/c1-27-9-24-16-18(27)26-17(11-2-4-12(5-3-11)20(21,22)23)28(19(16)29)13-6-7-14-15(8-13)30-10-25-14/h6-12H,2-5H2,1H3