[3-fluoranyl-4-(pyrimidin-2-ylsulfanylmethyl)phenyl]methanamine

Systemtic Name: [3-fluoranyl-4-(pyrimidin-2-ylsulfanylmethyl)phenyl]methanamine Openeye Name: [3-fluoro-4-(pyrimidin-2-ylsulfanylmethyl)phenyl]methanamine CAS Name: [3-fluoro-4-[(2-pyrimidinylthio)methyl]phenyl]methanamine IUPAC Name: [3-fluoro-4-(pyrimidin-2-ylsulfanylmethyl)phenyl]methanamine Traditional Name: [3-fluoro-4-[(2-pyrimidylthio)methyl]benzyl]amine Formula: C12H12FN3S MolecularWeight: 249.307183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=C(C=C(C=C2)CN)F

Isomeric SMILES

C1=CN=C(N=C1)SCC2=C(C=C(C=C2)CN)F

InChI

InChI=1S/C12H12FN3S/c13-11-6-9(7-14)2-3-10(11)8-17-12-15-4-1-5-16-12/h1-6H,7-8,14H2