4-[[4-(2-nitrophenoxy)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-(2-nitrophenoxy)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(2-nitrophenoxy)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-(2-nitrophenoxy)-5-phenyl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(2-nitrophenoxy)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-(2-nitrophenoxy)-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C23H21N4O4S+ MolecularWeight: 449.50224

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)OC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)OC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c28-27(29)18-8-4-5-9-19(18)31-22-21-17(16-6-2-1-3-7-16)15-32-23(21)25-20(24-22)14-26-10-12-30-13-11-26/h1-9,15H,10-14H2/p+1