2-[(3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[(3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylthio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[(3-cyano-7-keto-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylthio]-N-cyclopropyl-cinchoninamide Formula: C21H16N6O2S MolecularWeight: 416.45574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C(=N4)C(=CN5)C#N

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C(=N4)C(=CN5)C#N

InChI

InChI=1S/C21H16N6O2S/c22-9-12-10-23-27-19(28)7-14(24-20(12)27)11-30-18-8-16(21(29)25-13-5-6-13)15-3-1-2-4-17(15)26-18/h1-4,7-8,10,13,23H,5-6,11H2,(H,25,29)