5-butyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine

Systemtic Name: 5-butyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine Openeye Name: 5-butyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine CAS Name: 5-butyl-2-[1-[(2-fluorophenyl)methyl]-3-pyrazolo[3,4-b]pyridinyl]-4-pyrimidinamine IUPAC Name: 5-butyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine Traditional Name: [5-butyl-2-[1-(2-fluorobenzyl)pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-yl]amine Formula: C21H21FN6 MolecularWeight: 376.430043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

Isomeric SMILES

CCCCC1=CN=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

InChI

InChI=1S/C21H21FN6/c1-2-3-7-14-12-25-20(26-19(14)23)18-16-9-6-11-24-21(16)28(27-18)13-15-8-4-5-10-17(15)22/h4-6,8-12H,2-3,7,13H2,1H3,(H2,23,25,26)