3-methyl-7-(pyrimidin-2-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 3-methyl-7-(pyrimidin-2-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-methyl-7-(pyrimidin-2-ylsulfanylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-methyl-7-[(2-pyrimidinylthio)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-methyl-7-(pyrimidin-2-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-methyl-7-[(2-pyrimidylthio)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C12H11N4OS2+ MolecularWeight: 291.37194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CSC3=NC=CC=N3

InChI

InChI=1S/C12H10N4OS2/c1-8-6-19-12-15-9(5-10(17)16(8)12)7-18-11-13-3-2-4-14-11/h2-6H,7H2,1H3/p+1