4-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide

Systemtic Name: 4-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide Openeye Name: 4-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide CAS Name: 4-[(2-amino-4-pyrimidinyl)methylthio]-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide IUPAC Name: 4-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide Traditional Name: 4-[(2-aminopyrimidin-4-yl)methylthio]-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide Formula: C21H16F3N5OS MolecularWeight: 443.44485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC3=NC(=NC=C3)N)C(=CN2)C(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C(=C1)SCC3=NC(=NC=C3)N)C(=CN2)C(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3N5OS/c22-21(23,24)12-4-6-13(7-5-12)28-19(30)15-10-27-16-2-1-3-17(18(15)16)31-11-14-8-9-26-20(25)29-14/h1-10,27H,11H2,(H,28,30)(H2,25,26,29)