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

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]oxybenzenecarbonitrile Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinyl]oxy]benzonitrile IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Traditional Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Formula: C24H21N4O2S+ MolecularWeight: 429.51414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)OC5=CC=CC=C5C#N

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)OC5=CC=CC=C5C#N

InChI

InChI=1S/C24H20N4O2S/c25-14-18-8-4-5-9-20(18)30-23-22-19(17-6-2-1-3-7-17)16-31-24(22)27-21(26-23)15-28-10-12-29-13-11-28/h1-9,16H,10-13,15H2/p+1