2-bromanyl-3-[5-isocyano-6-(methylaminomethyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzenecarbonitrile

Systemtic Name: 2-bromanyl-3-[5-isocyano-6-(methylaminomethyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzenecarbonitrile Openeye Name: 2-bromo-3-[5-isocyano-6-(methylaminomethyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile CAS Name: 2-bromo-3-[5-isocyano-6-(methylaminomethyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile IUPAC Name: 2-bromo-3-[5-isocyano-6-(methylaminomethyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile Traditional Name: 2-bromo-3-[5-isocyano-6-(methylaminomethyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile Formula: C16H13BrN6 MolecularWeight: 369.21862

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C(C2=CNNC2=N1)C3=CC=CC(=C3Br)C#N)[N+]#[C-]

Isomeric SMILES

CNCC1=C(C(C2=CNNC2=N1)C3=CC=CC(=C3Br)C#N)[N+]#[C-]

InChI

InChI=1S/C16H13BrN6/c1-19-8-12-15(20-2)13(11-7-21-23-16(11)22-12)10-5-3-4-9(6-18)14(10)17/h3-5,7,13,19H,8H2,1H3,(H2,21,22,23)