ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]benzoate

Systemtic Name: ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoropyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C21H19FN4O4 MolecularWeight: 410.398363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O4/c1-2-28-20(27)13-4-3-5-14(10-13)25-21-23-12-16(22)19(26-21)24-15-6-7-17-18(11-15)30-9-8-29-17/h3-7,10-12H,2,8-9H2,1H3,(H2,23,24,25,26)