2-cyano-N-[3-[(4-pyridin-2-ylsulfanylpyrimidin-2-yl)amino]phenyl]ethanamide

Systemtic Name: 2-cyano-N-[3-[(4-pyridin-2-ylsulfanylpyrimidin-2-yl)amino]phenyl]ethanamide Openeye Name: 2-cyano-N-[3-[[4-(2-pyridylsulfanyl)pyrimidin-2-yl]amino]phenyl]acetamide CAS Name: 2-cyano-N-[3-[[4-(2-pyridinylthio)-2-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: 2-cyano-N-[3-[(4-pyridin-2-ylsulfanylpyrimidin-2-yl)amino]phenyl]acetamide Traditional Name: 2-cyano-N-[3-[[4-(2-pyridylthio)pyrimidin-2-yl]amino]phenyl]acetamide Formula: C18H14N6OS MolecularWeight: 362.40836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=NC(=NC=C2)NC3=CC(=CC=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=NC(=C1)SC2=NC(=NC=C2)NC3=CC(=CC=C3)NC(=O)CC#N

InChI

InChI=1S/C18H14N6OS/c19-9-7-15(25)22-13-4-3-5-14(12-13)23-18-21-11-8-17(24-18)26-16-6-1-2-10-20-16/h1-6,8,10-12H,7H2,(H,22,25)(H,21,23,24)