5-fluoranyl-N2,N4-bis(3-methyl-3,4-dihydro-1,2-benzodioxin-7-yl)pyrimidine-2,4-diamine

Systemtic Name: 5-fluoranyl-N2,N4-bis(3-methyl-3,4-dihydro-1,2-benzodioxin-7-yl)pyrimidine-2,4-diamine Openeye Name: 5-fluoro-N2,N4-bis(3-methyl-3,4-dihydro-1,2-benzodioxin-7-yl)pyrimidine-2,4-diamine CAS Name: 5-fluoro-N2,N4-bis(3-methyl-3,4-dihydro-1,2-benzodioxin-7-yl)pyrimidine-2,4-diamine IUPAC Name: 5-fluoro-2-N,4-N-bis(3-methyl-3,4-dihydro-1,2-benzodioxin-7-yl)pyrimidine-2,4-diamine Traditional Name: [5-fluoro-2-[(3-methyl-3,4-dihydro-1,2-benzodioxin-7-yl)amino]pyrimidin-4-yl]-(3-methyl-3,4-dihydro-1,2-benzodioxin-7-yl)amine Formula: C22H21FN4O4 MolecularWeight: 424.424943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC5=C(CC(OO5)C)C=C4)OO1

Isomeric SMILES

CC1CC2=C(C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC5=C(CC(OO5)C)C=C4)OO1

InChI

InChI=1S/C22H21FN4O4/c1-12-7-14-3-5-16(9-19(14)30-28-12)25-21-18(23)11-24-22(27-21)26-17-6-4-15-8-13(2)29-31-20(15)10-17/h3-6,9-13H,7-8H2,1-2H3,(H2,24,25,26,27)