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

Systemtic Name: 5-(5-methylthiophen-2-yl)-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(5-methyl-2-thienyl)-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(5-methyl-2-thiophenyl)-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(5-methylthiophen-2-yl)-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(5-methyl-2-thienyl)-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H13N3O2S3 MolecularWeight: 387.49902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C17H13N3O2S3/c1-10-5-6-12(25-10)11-8-24-17-15(11)16(21)18-13(19-17)9-23-14-4-2-3-7-20(14)22/h2-8H,9H2,1H3,(H,18,19,21)