N-[3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]-2-furamide Formula: C23H18N6O2 MolecularWeight: 410.42802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC(=CC=C4)NC(=O)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC(=CC=C4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C23H18N6O2/c30-23(20-10-5-11-31-20)28-17-7-4-6-16(12-17)13-24-21-19-14-27-29(22(19)26-15-25-21)18-8-2-1-3-9-18/h1-12,14-15H,13H2,(H,28,30)(H,24,25,26)