[4-[3-(5-fluoranylpyridin-3-yl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine

Systemtic Name: [4-[3-(5-fluoranylpyridin-3-yl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Openeye Name: [4-[3-(5-fluoro-3-pyridyl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methanamine CAS Name: [4-[3-(5-fluoro-3-pyridinyl)phenyl]-1-(7H-purin-6-yl)-4-piperidinyl]methanamine IUPAC Name: [4-[3-(5-fluoropyridin-3-yl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Traditional Name: [4-[3-(5-fluoro-3-pyridyl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methylamine Formula: C22H22FN7 MolecularWeight: 403.455383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CN)C2=CC=CC(=C2)C3=CC(=CN=C3)F)C4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CCC1(CN)C2=CC=CC(=C2)C3=CC(=CN=C3)F)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H22FN7/c23-18-9-16(10-25-11-18)15-2-1-3-17(8-15)22(12-24)4-6-30(7-5-22)21-19-20(27-13-26-19)28-14-29-21/h1-3,8-11,13-14H,4-7,12,24H2,(H,26,27,28,29)