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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-N-(3-pyridylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-(4-morpholin-4-iumylmethyl)-N-(3-pyridinylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C21H22N5OS2+ MolecularWeight: 424.56228

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)NCC5=CN=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)NCC5=CN=CC=C5

InChI

InChI=1S/C21H21N5OS2/c1-3-15(11-22-5-1)12-23-20-19-16(17-4-2-10-28-17)14-29-21(19)25-18(24-20)13-26-6-8-27-9-7-26/h1-5,10-11,14H,6-9,12-13H2,(H,23,24,25)/p+1