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

Systemtic Name: 4-[[4-(2-nitrophenoxy)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(2-nitrophenoxy)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-(2-nitrophenoxy)-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(2-nitrophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-(2-nitrophenoxy)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C21H19N4O4S2+ MolecularWeight: 455.52996

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)OC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)OC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S2/c26-25(27)15-4-1-2-5-16(15)29-20-19-14(17-6-3-11-30-17)13-31-21(19)23-18(22-20)12-24-7-9-28-10-8-24/h1-6,11,13H,7-10,12H2/p+1