5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-pyrimidin-2-yl]amino]benzofuran-2-carboxylic acid CAS Name: 5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-2-pyrimidinyl]amino]-2-benzofurancarboxylic acid IUPAC Name: 5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoropyrimidin-2-yl]amino]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-pyrimidin-2-yl]amino]coumarilic acid Formula: C21H15FN4O5 MolecularWeight: 422.366003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COOC2=C1C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)OC(=C5)C(=O)O

Isomeric SMILES

C1COOC2=C1C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)OC(=C5)C(=O)O

InChI

InChI=1S/C21H15FN4O5/c22-15-10-23-21(25-13-3-4-16-12(7-13)8-18(30-16)20(27)28)26-19(15)24-14-2-1-11-5-6-29-31-17(11)9-14/h1-4,7-10H,5-6H2,(H,27,28)(H2,23,24,25,26)