9-[(4-fluorophenyl)methyl]-N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]purin-8-amine

Systemtic Name: 9-[(4-fluorophenyl)methyl]-N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]purin-8-amine Openeye Name: 9-[(4-fluorophenyl)methyl]-N-[1-(2-isothiocyanatoethyl)-4-piperidyl]purin-8-amine CAS Name: 9-[(4-fluorophenyl)methyl]-N-[1-(2-isothiocyanatoethyl)-4-piperidinyl]-8-purinamine IUPAC Name: 9-[(4-fluorophenyl)methyl]-N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]purin-8-amine Traditional Name: [9-(4-fluorobenzyl)purin-8-yl]-[1-(2-isothiocyanatoethyl)-4-piperidyl]amine Formula: C20H22FN7S MolecularWeight: 411.498983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F)CCN=C=S

Isomeric SMILES

C1CN(CCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F)CCN=C=S

InChI

InChI=1S/C20H22FN7S/c21-16-3-1-15(2-4-16)12-28-19-18(11-23-13-24-19)26-20(28)25-17-5-8-27(9-6-17)10-7-22-14-29/h1-4,11,13,17H,5-10,12H2,(H,25,26)