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

Systemtic Name: methyl 2-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C18H20N3O3S3+ MolecularWeight: 422.5647

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=NC2=C1C(=CS2)C3=CC=CS3)C[NH+]4CCOCC4

Isomeric SMILES

COC(=O)CSC1=NC(=NC2=C1C(=CS2)C3=CC=CS3)C[NH+]4CCOCC4

InChI

InChI=1S/C18H19N3O3S3/c1-23-15(22)11-27-18-16-12(13-3-2-8-25-13)10-26-17(16)19-14(20-18)9-21-4-6-24-7-5-21/h2-3,8,10H,4-7,9,11H2,1H3/p+1