6-azanyl-2-[1-[3-[2,2,2-tris(fluoranyl)ethyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidine-4-carbonitrile

Systemtic Name: 6-azanyl-2-[1-[3-[2,2,2-tris(fluoranyl)ethyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidine-4-carbonitrile Openeye Name: 6-amino-2-[1-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidine-4-carbonitrile CAS Name: 6-amino-2-[1-[3-(2,2,2-trifluoroethyl)-5-furo[2,3-c]pyridinyl]ethylthio]-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-2-[1-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidine-4-carbonitrile Traditional Name: 6-amino-2-[1-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylthio]pyrimidine-4-carbonitrile Formula: C16H12F3N5OS MolecularWeight: 379.35959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CO2)CC(F)(F)F)SC3=NC(=CC(=N3)N)C#N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CO2)CC(F)(F)F)SC3=NC(=CC(=N3)N)C#N

InChI

InChI=1S/C16H12F3N5OS/c1-8(26-15-23-10(5-20)2-14(21)24-15)12-3-11-9(4-16(17,18)19)7-25-13(11)6-22-12/h2-3,6-8H,4H2,1H3,(H2,21,23,24)