4-[[4-(6-methyl-2-nitro-pyridin-3-yl)oxy-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-(6-methyl-2-nitro-pyridin-3-yl)oxy-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[(6-methyl-2-nitro-3-pyridyl)oxy]-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(6-methyl-2-nitro-3-pyridinyl)oxy]-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(6-methyl-2-nitropyridin-3-yl)oxy-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[(6-methyl-2-nitro-3-pyridyl)oxy]-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C21H20N5O4S2+ MolecularWeight: 470.5446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S2/c1-13-4-5-15(19(22-13)26(27)28)30-20-18-14(16-3-2-10-31-16)12-32-21(18)24-17(23-20)11-25-6-8-29-9-7-25/h2-5,10,12H,6-9,11H2,1H3/p+1