7-(3-chlorophenyl)-N-cyclopentyl-8-(2-fluoranylpyridin-4-yl)-2-methylsulfanyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine

Systemtic Name: 7-(3-chlorophenyl)-N-cyclopentyl-8-(2-fluoranylpyridin-4-yl)-2-methylsulfanyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine Openeye Name: 7-(3-chlorophenyl)-N-cyclopentyl-8-(2-fluoro-4-pyridyl)-2-methylsulfanyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine CAS Name: 7-(3-chlorophenyl)-N-cyclopentyl-8-(2-fluoro-4-pyridinyl)-2-(methylthio)-4-pyrazolo[1,5-a][1,3,5]triazinamine IUPAC Name: 7-(3-chlorophenyl)-N-cyclopentyl-8-(2-fluoropyridin-4-yl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine Traditional Name: [7-(3-chlorophenyl)-8-(2-fluoro-4-pyridyl)-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-cyclopentyl-amine Formula: C22H20ClFN6S MolecularWeight: 454.950803

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=NN2C(=N1)NC3CCCC3)C4=CC(=CC=C4)Cl)C5=CC(=NC=C5)F

Isomeric SMILES

CSC1=NC2=C(C(=NN2C(=N1)NC3CCCC3)C4=CC(=CC=C4)Cl)C5=CC(=NC=C5)F

InChI

InChI=1S/C22H20ClFN6S/c1-31-22-27-20-18(13-9-10-25-17(24)12-13)19(14-5-4-6-15(23)11-14)29-30(20)21(28-22)26-16-7-2-3-8-16/h4-6,9-12,16H,2-3,7-8H2,1H3,(H,26,27,28)