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

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(3,4-dimethoxyphenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(3,4-dimethoxyphenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[2-(3,4-dimethoxyanilino)-5-fluoro-pyrimidin-4-yl]amine Formula: C20H19FN4O4 MolecularWeight: 398.387663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OCCO4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OCCO4)F)OC

InChI

InChI=1S/C20H19FN4O4/c1-26-15-5-3-13(9-17(15)27-2)24-20-22-11-14(21)19(25-20)23-12-4-6-16-18(10-12)29-8-7-28-16/h3-6,9-11H,7-8H2,1-2H3,(H2,22,23,24,25)