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

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

Systemtic Name:4-[2-azanyl-5-[3-fluoranyl-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid
Openeye Name:4-[2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid
CAS Name:4-[2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid
IUPAC Name:4-[2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid
Traditional Name:4-[2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid
Formula: C16H10F4N4O2
MolecularWeight: 366.269813
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)F)C2=CN=C(N=C2C3=CNC(=C3)C(=O)O)N


Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)F)C2=CN=C(N=C2C3=CNC(=C3)C(=O)O)N


InChI

InChI=1S/C16H10F4N4O2/c17-10-2-7(1-9(4-10)16(18,19)20)11-6-23-15(21)24-13(11)8-3-12(14(25)26)22-5-8/h1-6,22H,(H,25,26)(H2,21,23,24)


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