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

Systemtic Name: 3-methyl-7-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-methyl-7-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-methyl-7-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-methyl-7-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C15H17N4O2S2+ MolecularWeight: 349.45108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC(=O)[N+]3=C(N2)SC=C3C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC(=O)[N+]3=C(N2)SC=C3C

InChI

InChI=1S/C15H16N4O2S2/c1-3-4-10-5-12(20)18-14(16-10)22-8-11-6-13(21)19-9(2)7-23-15(19)17-11/h5-7H,3-4,8H2,1-2H3,(H,16,18,20)/p+1