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

Systemtic Name: 6-ethanoyl-5-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C15H13N3O3S2 MolecularWeight: 347.41202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S2/c1-8-12-14(20)16-10(17-15(12)23-13(8)9(2)19)7-22-11-5-3-4-6-18(11)21/h3-6H,7H2,1-2H3,(H,16,17,20)