3-methoxy-4-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]oxy-benzaldehyde

Systemtic Name: 3-methoxy-4-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]oxy-benzaldehyde Openeye Name: 3-methoxy-4-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]oxy-benzaldehyde CAS Name: 3-methoxy-4-[[2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl]oxy]benzaldehyde IUPAC Name: 3-methoxy-4-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde Traditional Name: 3-methoxy-4-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]oxy-benzaldehyde Formula: C23H22N3O4S2+ MolecularWeight: 468.56848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C23H21N3O4S2/c1-28-18-11-15(13-27)4-5-17(18)30-22-21-16(19-3-2-10-31-19)14-32-23(21)25-20(24-22)12-26-6-8-29-9-7-26/h2-5,10-11,13-14H,6-9,12H2,1H3/p+1