ethyl 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: ethyl 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[2-(4-morpholin-4-iumylmethyl)-4-oxo-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid ethyl ester Formula: C19H22N3O4S2+ MolecularWeight: 420.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NC2=C(C1=O)C(=CS2)C3=CC=CS3)C[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)CN1C(=NC2=C(C1=O)C(=CS2)C3=CC=CS3)C[NH+]4CCOCC4

InChI

InChI=1S/C19H21N3O4S2/c1-2-26-16(23)11-22-15(10-21-5-7-25-8-6-21)20-18-17(19(22)24)13(12-28-18)14-4-3-9-27-14/h3-4,9,12H,2,5-8,10-11H2,1H3/p+1