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

Systemtic Name: N-(1-methylpyrazol-3-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1-methylpyrazol-3-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1-methyl-3-pyrazolyl)-2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1-methylpyrazol-3-yl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (1-methylpyrazol-3-yl)-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C19H21N6OS2+ MolecularWeight: 413.53964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

Isomeric SMILES

CN1C=CC(=N1)NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C19H20N6OS2/c1-24-5-4-15(23-24)20-18-17-13(14-3-2-10-27-14)12-28-19(17)22-16(21-18)11-25-6-8-26-9-7-25/h2-5,10,12H,6-9,11H2,1H3,(H,20,21,22,23)/p+1