N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(4-ethylphenyl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(4-ethylphenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(4-ethylphenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(4-ethylphenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-ethylphenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[2-(4-ethylanilino)-5-fluoro-pyrimidin-4-yl]amine Formula: C20H19FN4O2 MolecularWeight: 366.388863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OCCO4)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OCCO4)F

InChI

InChI=1S/C20H19FN4O2/c1-2-13-3-5-14(6-4-13)24-20-22-12-16(21)19(25-20)23-15-7-8-17-18(11-15)27-10-9-26-17/h3-8,11-12H,2,9-10H2,1H3,(H2,22,23,24,25)