3-[(4-oxidanidyl-6-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: 3-[(4-oxidanidyl-6-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: 3-[(5-isopropyl-4-oxido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[(4-oxido-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)thio]propanoate IUPAC Name: 3-[(4-oxido-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(5-isopropyl-6-keto-4-oxido-1H-pyrimidin-2-yl)thio]propionate Formula: C10H12N2O4S-2 MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(NC1=O)SCCC(=O)[O-])[O-]

Isomeric SMILES

CC(C)C1=C(N=C(NC1=O)SCCC(=O)[O-])[O-]

InChI

InChI=1S/C10H14N2O4S/c1-5(2)7-8(15)11-10(12-9(7)16)17-4-3-6(13)14/h5H,3-4H2,1-2H3,(H,13,14)(H2,11,12,15,16)/p-2