7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid

Systemtic Name: 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid Openeye Name: 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid CAS Name: 7-[[6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid Traditional Name: 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid Formula: C20H13F3N4O2 MolecularWeight: 398.33803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC3=NC=NC(=C3)C4=CC=C(C=C4)C(F)(F)F)NC(=C2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)NC3=NC=NC(=C3)C4=CC=C(C=C4)C(F)(F)F)NC(=C2)C(=O)O

InChI

InChI=1S/C20H13F3N4O2/c21-20(22,23)13-6-4-11(5-7-13)15-9-17(25-10-24-15)26-14-3-1-2-12-8-16(19(28)29)27-18(12)14/h1-10,27H,(H,28,29)(H,24,25,26)