5,6-dimethyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C14H13N3O2S2 MolecularWeight: 319.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C14H13N3O2S2/c1-8-9(2)21-14-12(8)13(18)15-10(16-14)7-20-11-5-3-4-6-17(11)19/h3-6H,7H2,1-2H3,(H,15,16,18)