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

Systemtic Name: 3-[[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[[2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amino]propionitrile Formula: C18H20N5OS2+ MolecularWeight: 386.5143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS2/c19-4-2-5-20-17-16-13(14-3-1-10-25-14)12-26-18(16)22-15(21-17)11-23-6-8-24-9-7-23/h1,3,10,12H,2,5-9,11H2,(H,20,21,22)/p+1