5-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]benzofuran-2-carboxylic acid CAS Name: 5-[[5-fluoro-4-(3-hydroxyanilino)-2-pyrimidinyl]amino]-2-benzofurancarboxylic acid IUPAC Name: 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]coumarilic acid Formula: C19H13FN4O4 MolecularWeight: 380.329323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OC(=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OC(=C4)C(=O)O

InChI

InChI=1S/C19H13FN4O4/c20-14-9-21-19(24-17(14)22-11-2-1-3-13(25)8-11)23-12-4-5-15-10(6-12)7-16(28-15)18(26)27/h1-9,25H,(H,26,27)(H2,21,22,23,24)