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

Systemtic Name: N2-(4-tert-butylphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2-(4-tert-butylphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2-(4-tert-butylphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-tert-butylphenyl)-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-(4-tert-butylanilino)-5-fluoro-pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O2/c1-22(2,3)14-4-6-15(7-5-14)26-21-24-13-17(23)20(27-21)25-16-8-9-18-19(12-16)29-11-10-28-18/h4-9,12-13H,10-11H2,1-3H3,(H2,24,25,26,27)