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

Systemtic Name: 2-[3-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethanenitrile Openeye Name: 2-[3-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetonitrile CAS Name: 2-[3-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)phenyl]acetonitrile IUPAC Name: 2-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetonitrile Traditional Name: 2-[3-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetonitrile Formula: C16H16N6 MolecularWeight: 292.33844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6/c1-10(2)22-16-13(15(18)19-9-20-16)14(21-22)12-5-3-4-11(8-12)6-7-17/h3-5,8-10H,6H2,1-2H3,(H2,18,19,20)