2-phenyl-5-(2-phenylazanylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2-phenyl-5-(2-phenylazanylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(2-anilinopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-(2-anilino-4-pyrimidinyl)-2-phenyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(2-anilinopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(2-anilinopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxylic acid Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(N2)C3=NC(=NC=C3)NC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(N2)C3=NC(=NC=C3)NC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H16N4O2/c26-20(27)16-13-18(24-19(16)14-7-3-1-4-8-14)17-11-12-22-21(25-17)23-15-9-5-2-6-10-15/h1-13,24H,(H,26,27)(H,22,23,25)