6-(trifluoromethyl)-2-[1-[3-[2,2,2-tris(fluoranyl)ethyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine

Systemtic Name: 6-(trifluoromethyl)-2-[1-[3-[2,2,2-tris(fluoranyl)ethyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine Openeye Name: 2-[1-[3-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine CAS Name: 2-[1-[3-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylthio]-6-(trifluoromethyl)-4-pyrimidinamine IUPAC Name: 2-[1-[3-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine Traditional Name: [2-[1-[3-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]ethylthio]-6-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C16H13F6N5S MolecularWeight: 421.363339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2)CC(F)(F)F)SC3=NC(=CC(=N3)N)C(F)(F)F

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2)CC(F)(F)F)SC3=NC(=CC(=N3)N)C(F)(F)F

InChI

InChI=1S/C16H13F6N5S/c1-7(28-14-26-12(16(20,21)22)3-13(23)27-14)10-2-9-8(4-15(17,18)19)5-24-11(9)6-25-10/h2-3,5-7,24H,4H2,1H3,(H2,23,26,27)