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

Systemtic Name: N-methyl-2-(morpholin-4-ium-4-ylmethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-methyl-2-(morpholin-4-ium-4-ylmethyl)-N-(3-pyridylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-methyl-2-(4-morpholin-4-iumylmethyl)-N-(3-pyridinylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-methyl-2-(morpholin-4-ium-4-ylmethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C22H24N5OS2+ MolecularWeight: 438.58886

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

Isomeric SMILES

CN(CC1=CN=CC=C1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C22H23N5OS2/c1-26(13-16-4-2-6-23-12-16)21-20-17(18-5-3-11-29-18)15-30-22(20)25-19(24-21)14-27-7-9-28-10-8-27/h2-6,11-12,15H,7-10,13-14H2,1H3/p+1