4-(1-oxidanidylpyridin-1-ium-2-yl)oxy-5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(1-oxidanidylpyridin-1-ium-2-yl)oxy-5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1-oxidopyridin-1-ium-2-yl)oxy-5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidine CAS Name: 4-[(1-oxido-2-pyridin-1-iumyl)oxy]-5-phenyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1-oxidopyridin-1-ium-2-yl)oxy-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine Traditional Name: 4-(1-oxidopyridin-1-ium-2-yl)oxy-5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidine Formula: C22H14N4O2S MolecularWeight: 398.43716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)OC4=CC=CC=[N+]4[O-])C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)OC4=CC=CC=[N+]4[O-])C5=CN=CC=C5

InChI

InChI=1S/C22H14N4O2S/c27-26-12-5-4-10-18(26)28-21-19-17(15-7-2-1-3-8-15)14-29-22(19)25-20(24-21)16-9-6-11-23-13-16/h1-14H