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

Systemtic Name: N4-(4-butoxyphenyl)-N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N4-(4-butoxyphenyl)-N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N4-(4-butoxyphenyl)-N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [4-(4-butoxyanilino)-5-fluoro-pyrimidin-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23FN4O3/c1-2-3-10-28-17-7-4-15(5-8-17)25-21-18(23)14-24-22(27-21)26-16-6-9-19-20(13-16)30-12-11-29-19/h4-9,13-14H,2-3,10-12H2,1H3,(H2,24,25,26,27)