2-[[2-(1,3-benzodioxol-5-yl)-5-fluoranyl-pyrimidin-4-yl]amino]ethanol

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-5-fluoranyl-pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-5-fluoro-pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-5-fluoro-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-5-fluoro-pyrimidin-4-yl]amino]ethanol Formula: C13H12FN3O3 MolecularWeight: 277.251083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC=C(C(=N3)NCCO)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC=C(C(=N3)NCCO)F

InChI

InChI=1S/C13H12FN3O3/c14-9-6-16-12(17-13(9)15-3-4-18)8-1-2-10-11(5-8)20-7-19-10/h1-2,5-6,18H,3-4,7H2,(H,15,16,17)