N4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N2-(3,5-dimethylphenyl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N2-(3,5-dimethylphenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N2-(3,5-dimethylphenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N2-(3,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-N-(3,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(3,5-dimethylanilino)-5-fluoro-pyrimidin-4-yl]amine Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=C(C(=N2)NCC3COC4=CC=CC=C4O3)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=C(C(=N2)NCC3COC4=CC=CC=C4O3)F)C

InChI

InChI=1S/C21H21FN4O2/c1-13-7-14(2)9-15(8-13)25-21-24-11-17(22)20(26-21)23-10-16-12-27-18-5-3-4-6-19(18)28-16/h3-9,11,16H,10,12H2,1-2H3,(H2,23,24,25,26)