7-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C13H14N5OS2+ MolecularWeight: 320.41316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)[N+]3=C(N2)SC=C3C)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)[N+]3=C(N2)SC=C3C)N

InChI

InChI=1S/C13H13N5OS2/c1-7-3-10(14)17-12(15-7)20-6-9-4-11(19)18-8(2)5-21-13(18)16-9/h3-5H,6H2,1-2H3,(H2,14,15,17)/p+1