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

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=CC=CC=[N+]4[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=CC=CC=[N+]4[O-])C

InChI

InChI=1S/C20H17N3O2S2/c1-12-6-8-14(9-7-12)17-13(2)27-20-18(17)19(24)21-15(22-20)11-26-16-5-3-4-10-23(16)25/h3-10H,11H2,1-2H3,(H,21,22,24)