5-(2-azanylpyrimidin-4-yl)-2-(2-fluoranyl-4-methyl-phenyl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-2-(2-fluoranyl-4-methyl-phenyl)-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-4-methyl-phenyl)-1H-pyrrole-3-carboxylic acid CAS Name: 5-(2-amino-4-pyrimidinyl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-4-methylphenyl)-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-4-methyl-phenyl)-1H-pyrrole-3-carboxylic acid Formula: C16H13FN4O2 MolecularWeight: 312.298423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)O)F

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)O)F

InChI

InChI=1S/C16H13FN4O2/c1-8-2-3-9(11(17)6-8)14-10(15(22)23)7-13(20-14)12-4-5-19-16(18)21-12/h2-7,20H,1H3,(H,22,23)(H2,18,19,21)