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

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H14N5O2S3- MolecularWeight: 404.50966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H15N5O2S3/c1-10-7-12(22)18-14(17-10)24-9-13(23)19-15-20-21-16(26-15)25-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,17,18,22)(H,19,20,23)/p-1