N-[3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluoro-benzamide CAS Name: N-[3-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)phenyl]-4-fluorobenzamide IUPAC Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide Traditional Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluoro-benzamide Formula: C18H13FN6O MolecularWeight: 348.333823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)F)N3C4=C(C=N3)C(=NC=N4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)F)N3C4=C(C=N3)C(=NC=N4)N

InChI

InChI=1S/C18H13FN6O/c19-12-6-4-11(5-7-12)18(26)24-13-2-1-3-14(8-13)25-17-15(9-23-25)16(20)21-10-22-17/h1-10H,(H,24,26)(H2,20,21,22)