3-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H22N5O2S2+ MolecularWeight: 452.57238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

InChI

InChI=1S/C22H21N5O2S2/c28-19(26-9-7-25(8-10-26)12-16-3-5-23-6-4-16)13-27-15-24-21-20(22(27)29)17(14-31-21)18-2-1-11-30-18/h1-6,11,14-15H,7-10,12-13H2/p+1