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

Systemtic Name: 2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H14N3O2S+ MolecularWeight: 336.38766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C[N+]4=CC=CC(=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C[N+]4=CC=CC(=C4)O

InChI

InChI=1S/C18H13N3O2S/c22-13-7-4-8-21(9-13)10-15-19-17(23)16-14(11-24-18(16)20-15)12-5-2-1-3-6-12/h1-9,11H,10H2,(H-,19,20,22,23)/p+1