2-[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: 2-[[1-phenyl-6-(trifluoromethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C17H14F3N5OS MolecularWeight: 393.38617

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C=CCNC(=O)CSC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N5OS/c1-2-8-21-13(26)10-27-15-12-9-22-25(11-6-4-3-5-7-11)14(12)23-16(24-15)17(18,19)20/h2-7,9H,1,8,10H2,(H,21,26)