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

Systemtic Name: 5-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid Openeye Name: 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid CAS Name: 5-[[5-fluoro-4-(3-hydroxyanilino)-2-pyrimidinyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid Traditional Name: 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid Formula: C19H14FN5O3 MolecularWeight: 379.344563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14FN5O3/c20-14-9-21-19(25-17(14)22-11-2-1-3-13(26)8-11)23-12-4-5-15-10(6-12)7-16(24-15)18(27)28/h1-9,24,26H,(H,27,28)(H2,21,22,23,25)