5-(2-azanylpyrimidin-4-yl)-2-[2,6-bis(fluoranyl)phenyl]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-2-[2,6-bis(fluoranyl)phenyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-(2,6-difluorophenyl)-1H-pyrrole-3-carboxylic acid CAS Name: 5-(2-amino-4-pyrimidinyl)-2-(2,6-difluorophenyl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-(2,6-difluorophenyl)-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-(2,6-difluorophenyl)-1H-pyrrole-3-carboxylic acid Formula: C15H10F2N4O2 MolecularWeight: 316.262306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10F2N4O2/c16-8-2-1-3-9(17)12(8)13-7(14(22)23)6-11(20-13)10-4-5-19-15(18)21-10/h1-6,20H,(H,22,23)(H2,18,19,21)