N2-(3-pyridin-4-ylphenyl)-N4-[2,2,2-tris(fluoranyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: N2-(3-pyridin-4-ylphenyl)-N4-[2,2,2-tris(fluoranyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N2-[3-(4-pyridyl)phenyl]-N4-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N2-(3-pyridin-4-ylphenyl)-N4-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-pyridin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-[3-(4-pyridyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amine Formula: C19H15F3N6 MolecularWeight: 384.35781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC3=C(C=CN3)C(=N2)NCC(F)(F)F)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC3=C(C=CN3)C(=N2)NCC(F)(F)F)C4=CC=NC=C4

InChI

InChI=1S/C19H15F3N6/c20-19(21,22)11-25-17-15-6-9-24-16(15)27-18(28-17)26-14-3-1-2-13(10-14)12-4-7-23-8-5-12/h1-10H,11H2,(H3,24,25,26,27,28)