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

Systemtic Name: methyl 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H20N3O4S2+ MolecularWeight: 406.4991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S2/c1-24-15(22)10-21-14(9-20-4-6-25-7-5-20)19-17-16(18(21)23)12(11-27-17)13-3-2-8-26-13/h2-3,8,11H,4-7,9-10H2,1H3/p+1