2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C15H12N6OS2 MolecularWeight: 356.42538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)SCC#N

InChI

InChI=1S/C15H12N6OS2/c16-5-6-23-12-4-2-1-3-11(12)20-13(22)9-24-15-19-8-10(7-17)14(18)21-15/h1-4,8H,6,9H2,(H,20,22)(H2,18,19,21)