N-[4-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]quinoline-2-carboxamide

Systemtic Name: N-[4-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]quinoline-2-carboxamide Openeye Name: N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]quinoline-2-carboxamide CAS Name: N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-2-quinolinecarboxamide IUPAC Name: N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]quinoline-2-carboxamide Traditional Name: N-[4-(4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]quinaldamide Formula: C21H14N6O2 MolecularWeight: 382.37486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC=C(C=C3)N4C5=NC=NC(=O)C5=CN4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC=C(C=C3)N4C5=NC=NC(=O)C5=CN4

InChI

InChI=1S/C21H14N6O2/c28-20-16-11-24-27(19(16)22-12-23-20)15-8-6-14(7-9-15)25-21(29)18-10-5-13-3-1-2-4-17(13)26-18/h1-12,24H,(H,25,29)