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

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[2-(4-morpholin-4-iumylmethyl)-4-oxo-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C17H17N4O2S2+ MolecularWeight: 373.47248

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC#N

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC#N

InChI

InChI=1S/C17H16N4O2S2/c18-3-4-21-14(10-20-5-7-23-8-6-20)19-16-15(17(21)22)12(11-25-16)13-2-1-9-24-13/h1-2,9,11H,4-8,10H2/p+1