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

Systemtic Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-oxo-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Traditional Name: 2-[[4-keto-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Formula: C23H21N4O2S2+ MolecularWeight: 449.56844

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC5=CC=CC=C5C#N

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC5=CC=CC=C5C#N

InChI

InChI=1S/C23H20N4O2S2/c24-12-16-4-1-2-5-17(16)13-27-20(14-26-7-9-29-10-8-26)25-22-21(23(27)28)18(15-31-22)19-6-3-11-30-19/h1-6,11,15H,7-10,13-14H2/p+1