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

Systemtic Name: 2-[[5-cyano-6-(3,4-dimethoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-cyano-6-(3,4-dimethoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-cyano-6-(3,4-dimethoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-cyano-6-(3,4-dimethoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-cyano-6-(3,4-dimethoxyphenyl)-4-keto-1H-pyrimidin-2-yl]thio]propionic acid Formula: C16H15N3O5S MolecularWeight: 361.3724

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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

CC(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)