N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propionamide Formula: C21H15FN6O2S MolecularWeight: 434.446203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NC4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NC4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C21H15FN6O2S/c22-12-6-7-15-16(10-12)31-21(24-15)27-18(29)9-8-17-25-19-14(20(30)26-17)11-23-28(19)13-4-2-1-3-5-13/h1-7,10-11,23H,8-9H2,(H,24,27,29)