3-[2-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-6-phenyl-pyrimidin-4-yl]sulfanylpropanoate

Systemtic Name: 3-[2-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-6-phenyl-pyrimidin-4-yl]sulfanylpropanoate Openeye Name: 3-[2-(3-oxido-3-oxo-propyl)sulfanyl-6-phenyl-pyrimidin-4-yl]sulfanylpropanoate CAS Name: 3-[[2-[(3-oxido-3-oxopropyl)thio]-6-phenyl-4-pyrimidinyl]thio]propanoate IUPAC Name: 3-[2-(3-oxido-3-oxopropyl)sulfanyl-6-phenylpyrimidin-4-yl]sulfanylpropanoate Traditional Name: 3-[[2-[(3-keto-3-oxido-propyl)thio]-6-phenyl-pyrimidin-4-yl]thio]propionate Formula: C16H14N2O4S2-2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)[O-])SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)[O-])SCCC(=O)[O-]

InChI

InChI=1S/C16H16N2O4S2/c19-14(20)6-8-23-13-10-12(11-4-2-1-3-5-11)17-16(18-13)24-9-7-15(21)22/h1-5,10H,6-9H2,(H,19,20)(H,21,22)/p-2