6-methyl-3-(3-methylphenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one

Systemtic Name: 6-methyl-3-(3-methylphenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one Openeye Name: 6-methyl-2-methylsulfanyl-3-(m-tolyl)thiazolo[4,5-d]pyrimidin-3-ium-7-one CAS Name: 6-methyl-3-(3-methylphenyl)-2-(methylthio)-7-thiazolo[4,5-d]pyrimidin-3-iumone IUPAC Name: 6-methyl-3-(3-methylphenyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one Traditional Name: 6-methyl-2-(methylthio)-3-(m-tolyl)thiazolo[4,5-d]pyrimidin-3-ium-7-one Formula: C14H14N3OS2+ MolecularWeight: 304.41046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2=C(SC3=C2N=CN(C3=O)C)SC

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2=C(SC3=C2N=CN(C3=O)C)SC

InChI

InChI=1S/C14H14N3OS2/c1-9-5-4-6-10(7-9)17-12-11(20-14(17)19-3)13(18)16(2)8-15-12/h4-8H,1-3H3/q+1