(2R)-2-[[5-cyano-6-(3,4-dimethoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: (2R)-2-[[5-cyano-6-(3,4-dimethoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: (2R)-2-[[5-cyano-6-(3,4-dimethoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[5-cyano-6-(3,4-dimethoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]propanoate IUPAC Name: (2R)-2-[[5-cyano-6-(3,4-dimethoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[5-cyano-6-(3,4-dimethoxyphenyl)-4-keto-1H-pyrimidin-2-yl]thio]propionate Formula: C16H14N3O5S- MolecularWeight: 360.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC(=O)C(=C(N1)C2=CC(=C(C=C2)OC)OC)C#N

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NC(=O)C(=C(N1)C2=CC(=C(C=C2)OC)OC)C#N

InChI

InChI=1S/C16H15N3O5S/c1-8(15(21)22)25-16-18-13(10(7-17)14(20)19-16)9-4-5-11(23-2)12(6-9)24-3/h4-6,8H,1-3H3,(H,21,22)(H,18,19,20)/p-1/t8-/m1/s1