2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]ethanenitrile

Systemtic Name: 2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]ethanenitrile Openeye Name: 2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]-1-piperidyl]acetonitrile CAS Name: 2-[4-[[9-[(4-fluorophenyl)methyl]-8-purinyl]amino]-1-piperidinyl]acetonitrile IUPAC Name: 2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]acetonitrile Traditional Name: 2-[4-[[9-(4-fluorobenzyl)purin-8-yl]amino]piperidino]acetonitrile Formula: C19H20FN7 MolecularWeight: 365.407403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F)CC#N

Isomeric SMILES

C1CN(CCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F)CC#N

InChI

InChI=1S/C19H20FN7/c20-15-3-1-14(2-4-15)12-27-18-17(11-22-13-23-18)25-19(27)24-16-5-8-26(9-6-16)10-7-21/h1-4,11,13,16H,5-6,8-10,12H2,(H,24,25)