2-(6-azanyl-5-cyano-2-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-(6-azanyl-5-cyano-2-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(6-amino-5-cyano-2-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[[6-amino-5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-(6-amino-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[[6-amino-5-cyano-2-(methylthio)pyrimidin-4-yl]thio]-N-phenyl-acetamide Formula: C14H13N5OS2 MolecularWeight: 331.41592

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)SCC(=O)NC2=CC=CC=C2)C#N)N

Isomeric SMILES

CSC1=NC(=C(C(=N1)SCC(=O)NC2=CC=CC=C2)C#N)N

InChI

InChI=1S/C14H13N5OS2/c1-21-14-18-12(16)10(7-15)13(19-14)22-8-11(20)17-9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H,17,20)(H2,16,18,19)