(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-(4-thieno[2,3-d]pyrimidinylthio)-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)propan-1-one Formula: C15H21N4OS2+ MolecularWeight: 337.48344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C15H20N4OS2/c1-3-18-5-7-19(8-6-18)15(20)11(2)22-14-12-4-9-21-13(12)16-10-17-14/h4,9-11H,3,5-8H2,1-2H3/p+1/t11-/m0/s1