N-(1H-indazol-5-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1H-indazol-5-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1H-indazol-5-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1H-indazol-5-yl)-2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1H-indazol-5-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 1H-indazol-5-yl-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C22H21N6OS2+ MolecularWeight: 449.57174

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)NC5=CC6=C(C=C5)NN=C6

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)NC5=CC6=C(C=C5)NN=C6

InChI

InChI=1S/C22H20N6OS2/c1-2-18(30-9-1)16-13-31-22-20(16)21(24-15-3-4-17-14(10-15)11-23-27-17)25-19(26-22)12-28-5-7-29-8-6-28/h1-4,9-11,13H,5-8,12H2,(H,23,27)(H,24,25,26)/p+1