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

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoranyl-N2-(4-hexoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-N2-(4-hexoxyphenyl)pyrimidine-2,4-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-N2-(4-hexoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(4-hexoxyphenyl)pyrimidine-2,4-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[5-fluoro-2-(4-hexoxyanilino)pyrimidin-4-yl]amine Formula: C24H27FN4O3 MolecularWeight: 438.494583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OCCO4)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OCCO4)F

InChI

InChI=1S/C24H27FN4O3/c1-2-3-4-5-12-30-19-9-6-17(7-10-19)28-24-26-16-20(25)23(29-24)27-18-8-11-21-22(15-18)32-14-13-31-21/h6-11,15-16H,2-5,12-14H2,1H3,(H2,26,27,28,29)