1-[4-(6-ethyl-2-methylsulfanyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-(6-ethyl-2-methylsulfanyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(6-ethyl-2-methylsulfanyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[6-ethyl-2-(methylthio)-4-thieno[2,3-d]pyrimidinyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-(6-ethyl-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-[6-ethyl-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl]piperazino]-2-phenyl-ethanone Formula: C21H24N4OS2 MolecularWeight: 412.57146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)SC)N3CCN(CC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)SC)N3CCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS2/c1-3-16-14-17-19(22-21(27-2)23-20(17)28-16)25-11-9-24(10-12-25)18(26)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3