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

Systemtic Name: 2-[(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C14H14N4O2S2 MolecularWeight: 334.41656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC(=O)[N+]3=C(N2)SC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC(=O)[N+]3=C(N2)SC=C3)[O-]

InChI

InChI=1S/C14H14N4O2S2/c1-2-3-9-6-11(19)17-13(15-9)22-8-10-7-12(20)18-4-5-21-14(18)16-10/h4-7H,2-3,8H2,1H3,(H,15,17,19)