2-[[5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[[5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[5-(4-methyl-5-thiadiazolyl)-1,2,4-oxadiazol-3-yl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methylthio]-6-propyl-pyrimidin-4-olate Formula: C13H13N6O2S2- MolecularWeight: 349.41132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=NOC(=N2)C3=C(N=NS3)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=NOC(=N2)C3=C(N=NS3)C)[O-]

InChI

InChI=1S/C13H14N6O2S2/c1-3-4-8-5-10(20)16-13(14-8)22-6-9-15-12(21-18-9)11-7(2)17-19-23-11/h5H,3-4,6H2,1-2H3,(H,14,16,20)/p-1