5-(2-azanyl-5-fluoranyl-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(2-azanyl-5-fluoranyl-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(2-amino-5-fluoro-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-(2-amino-5-fluoro-4-pyrimidinyl)-2-phenyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(2-amino-5-fluoro-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxylic acid Formula: C15H11FN4O2 MolecularWeight: 298.271843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(N2)C3=NC(=NC=C3F)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(N2)C3=NC(=NC=C3F)N)C(=O)O

InChI

InChI=1S/C15H11FN4O2/c16-10-7-18-15(17)20-13(10)11-6-9(14(21)22)12(19-11)8-4-2-1-3-5-8/h1-7,19H,(H,21,22)(H2,17,18,20)