3-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-[4-(4-acetylphenyl)sulfonylpiperazino]-2-keto-ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C20H20N4O5S2 MolecularWeight: 460.5266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C20H20N4O5S2/c1-14(25)15-2-4-16(5-3-15)31(28,29)24-9-7-22(8-10-24)18(26)12-23-13-21-19-17(20(23)27)6-11-30-19/h2-6,11,13H,7-10,12H2,1H3