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

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(3,5-dimethylphenyl)-5-fluoranyl-N4-methyl-pyrimidine-2,4-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(3,5-dimethylphenyl)-5-fluoro-N4-methyl-pyrimidine-2,4-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(3,5-dimethylphenyl)-5-fluoro-N4-methylpyrimidine-2,4-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[2-(3,5-dimethylanilino)-5-fluoro-pyrimidin-4-yl]-methyl-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)N(C)C3=CC4=C(C=C3)OCCO4)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=C(C(=N2)N(C)C3=CC4=C(C=C3)OCCO4)F)C

InChI

InChI=1S/C21H21FN4O2/c1-13-8-14(2)10-15(9-13)24-21-23-12-17(22)20(25-21)26(3)16-4-5-18-19(11-16)28-7-6-27-18/h4-5,8-12H,6-7H2,1-3H3,(H,23,24,25)