ethyl 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]oxybenzoate

Systemtic Name: ethyl 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]oxybenzoate Openeye Name: ethyl 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]oxybenzoate CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]oxybenzoate Traditional Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]oxybenzoic acid ethyl ester Formula: C26H26N3O4S+ MolecularWeight: 476.56734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1OC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1OC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O4S/c1-2-32-26(30)19-10-6-7-11-21(19)33-24-23-20(18-8-4-3-5-9-18)17-34-25(23)28-22(27-24)16-29-12-14-31-15-13-29/h3-11,17H,2,12-16H2,1H3/p+1