3-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]oxybenzenecarbonitrile

Systemtic Name: 3-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]oxybenzenecarbonitrile Openeye Name: 3-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile CAS Name: 3-[[2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl]oxy]benzonitrile IUPAC Name: 3-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Traditional Name: 3-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Formula: C22H19N4O2S2+ MolecularWeight: 435.54186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)OC5=CC=CC(=C5)C#N

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)OC5=CC=CC(=C5)C#N

InChI

InChI=1S/C22H18N4O2S2/c23-12-15-3-1-4-16(11-15)28-21-20-17(18-5-2-10-29-18)14-30-22(20)25-19(24-21)13-26-6-8-27-9-7-26/h1-5,10-11,14H,6-9,13H2/p+1