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

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C15H16N4O2S2 MolecularWeight: 348.44314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)