2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(piazthiol-4-ylamino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H14N5O2S2- MolecularWeight: 360.43396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC3=NSN=C32)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC3=NSN=C32)[O-]

InChI

InChI=1S/C15H15N5O2S2/c1-2-4-9-7-12(21)18-15(16-9)23-8-13(22)17-10-5-3-6-11-14(10)20-24-19-11/h3,5-7H,2,4,8H2,1H3,(H,17,22)(H,16,18,21)/p-1