9-[(4-fluorophenyl)methyl]-8-piperidin-4-ylsulfanyl-purine

Systemtic Name: 9-[(4-fluorophenyl)methyl]-8-piperidin-4-ylsulfanyl-purine Openeye Name: 9-[(4-fluorophenyl)methyl]-8-(4-piperidylsulfanyl)purine CAS Name: 9-[(4-fluorophenyl)methyl]-8-(4-piperidinylthio)purine IUPAC Name: 9-[(4-fluorophenyl)methyl]-8-piperidin-4-ylsulfanylpurine Traditional Name: 9-(4-fluorobenzyl)-8-(4-piperidylthio)purine Formula: C17H18FN5S MolecularWeight: 343.421723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1SC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F

Isomeric SMILES

C1CNCCC1SC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C17H18FN5S/c18-13-3-1-12(2-4-13)10-23-16-15(9-20-11-21-16)22-17(23)24-14-5-7-19-8-6-14/h1-4,9,11,14,19H,5-8,10H2