5-acetamido-2-[2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-acetamido-2-[2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-acetamido-2-[2-(2,6-dichloroanilino)-2-oxo-ethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-acetamido-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]thio]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-acetamido-2-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-acetamido-2-[[2-(2,6-dichloroanilino)-2-keto-ethyl]thio]-6-keto-1H-pyrimidin-4-olate Formula: C14H11Cl2N4O4S- MolecularWeight: 402.23254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2=C(C=CC=C2Cl)Cl)[O-]

Isomeric SMILES

CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2=C(C=CC=C2Cl)Cl)[O-]

InChI

InChI=1S/C14H12Cl2N4O4S/c1-6(21)17-11-12(23)19-14(20-13(11)24)25-5-9(22)18-10-7(15)3-2-4-8(10)16/h2-4H,5H2,1H3,(H,17,21)(H,18,22)(H2,19,20,23,24)/p-1