4-[5-[3,5-bis(chloranyl)phenyl]-2-phenylazanyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[5-[3,5-bis(chloranyl)phenyl]-2-phenylazanyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-anilino-5-(3,5-dichlorophenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-anilino-5-(3,5-dichlorophenyl)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-anilino-5-(3,5-dichlorophenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-anilino-5-(3,5-dichlorophenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C21H14Cl2N4O2 MolecularWeight: 425.26746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)O)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)O)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H14Cl2N4O2/c22-14-6-12(7-15(23)9-14)17-11-25-21(26-16-4-2-1-3-5-16)27-19(17)13-8-18(20(28)29)24-10-13/h1-11,24H,(H,28,29)(H,25,26,27)