4-chloranyl-N-[1-(4-fluorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]benzamide

Systemtic Name: 4-chloranyl-N-[1-(4-fluorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]benzamide Openeye Name: 4-chloro-N-[1-(4-fluorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]benzamide CAS Name: 4-chloro-N-[1-(4-fluorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]benzamide IUPAC Name: 4-chloro-N-[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]benzamide Traditional Name: 4-chloro-N-[1-(4-fluorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]benzamide Formula: C18H11ClFN5O2 MolecularWeight: 383.763643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C18H11ClFN5O2/c19-12-3-1-11(2-4-12)17(26)23-24-10-21-16-15(18(24)27)9-22-25(16)14-7-5-13(20)6-8-14/h1-10H,(H,23,26)