2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]-2-phenylacetic acid IUPAC Name: 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]-2-phenyl-acetic acid Formula: C14H12N4O2S2 MolecularWeight: 332.40068

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)N)SC(C2=CC=CC=C2)C(=O)O)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)N)SC(C2=CC=CC=C2)C(=O)O)C#N

InChI

InChI=1S/C14H12N4O2S2/c1-21-11-9(7-15)12(18-14(16)17-11)22-10(13(19)20)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,19,20)(H2,16,17,18)