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

Systemtic Name: 5,6-dimethyl-2-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[1-[(1-oxido-2-pyridin-1-iumyl)thio]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[1-[(1-oxidopyridin-1-ium-2-yl)thio]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C15H15N3O2S2 MolecularWeight: 333.4285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)SC3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)SC3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C15H15N3O2S2/c1-8-9(2)22-15-12(8)14(19)16-13(17-15)10(3)21-11-6-4-5-7-18(11)20/h4-7,10H,1-3H3,(H,16,17,19)