2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H13N3O2S2 MolecularWeight: 367.44472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C18H13N3O2S2/c22-17-16-13(12-6-2-1-3-7-12)10-25-18(16)20-14(19-17)11-24-15-8-4-5-9-21(15)23/h1-10H,11H2,(H,19,20,22)