2-[3-(2-azanylethylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[3-(2-azanylethylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-(2-aminoethylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-(2-aminoethylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-(2-aminoethylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[3-(2-aminoethylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-propionitrile Formula: C18H20N6 MolecularWeight: 320.3916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)C2=C3C=NNC3=NC=C2)NCCN

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)C2=C3C=NNC3=NC=C2)NCCN

InChI

InChI=1S/C18H20N6/c1-18(2,11-20)13-7-12(8-14(9-13)21-6-4-19)15-3-5-22-17-16(15)10-23-24-17/h3,5,7-10,21H,4,6,19H2,1-2H3,(H,22,23,24)