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

Systemtic Name: 5-(furan-2-yl)-2-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-[1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[1-[(1-oxido-2-pyridin-1-iumyl)thio]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-[1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-[1-[(1-oxidopyridin-1-ium-2-yl)thio]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1)SC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC(C1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1)SC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C17H13N3O3S2/c1-10(25-13-6-2-3-7-20(13)22)15-18-16(21)14-11(9-24-17(14)19-15)12-5-4-8-23-12/h2-10H,1H3,(H,18,19,21)