4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-4-yl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-4-pyrimidinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-4-yl]amino]cyclohexanecarboxylic acid Formula: C19H21FN4O4 MolecularWeight: 388.392843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(CCC1C(=O)O)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H21FN4O4/c20-14-10-21-19(23-13-5-6-15-16(9-13)28-8-7-27-15)24-17(14)22-12-3-1-11(2-4-12)18(25)26/h5-6,9-12H,1-4,7-8H2,(H,25,26)(H2,21,22,23,24)