2-[2-[[5-(2-acetamido-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[5-(2-acetamido-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[[5-(2-acetamido-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[[5-[(2-acetamido-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[[5-(2-acetamido-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[[5-[(2-acetamido-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H17N6O4S3- MolecularWeight: 441.52828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=NN=C(S2)SCC(=O)NC(=O)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=NN=C(S2)SCC(=O)NC(=O)C)[O-]

InChI

InChI=1S/C15H18N6O4S3/c1-3-4-9-5-10(23)18-13(17-9)26-6-12(25)19-14-20-21-15(28-14)27-7-11(24)16-8(2)22/h5H,3-4,6-7H2,1-2H3,(H,16,22,24)(H,17,18,23)(H,19,20,25)/p-1