3-(4-fluorophenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-fluorophenyl)-2-(2-morpholino-2-oxo-ethyl)sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-fluorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[(2-keto-2-morpholino-ethyl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H22FN3O3S2 MolecularWeight: 459.556783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)F)SCC(=O)N5CCOCC5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)F)SCC(=O)N5CCOCC5

InChI

InChI=1S/C22H22FN3O3S2/c23-14-5-7-15(8-6-14)26-21(28)19-16-3-1-2-4-17(16)31-20(19)24-22(26)30-13-18(27)25-9-11-29-12-10-25/h5-8H,1-4,9-13H2