4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluoro-benzonitrile CAS Name: 4-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-2-fluorobenzonitrile IUPAC Name: 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorobenzonitrile Traditional Name: 4-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluoro-benzonitrile Formula: C15H13FN6 MolecularWeight: 296.302323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=N1)C3=CC(=C(C=C3)C#N)F)C(=NC=N2)N

Isomeric SMILES

CC(C)N1C2=C(C(=N1)C3=CC(=C(C=C3)C#N)F)C(=NC=N2)N

InChI

InChI=1S/C15H13FN6/c1-8(2)22-15-12(14(18)19-7-20-15)13(21-22)9-3-4-10(6-17)11(16)5-9/h3-5,7-8H,1-2H3,(H2,18,19,20)