N-[2-[[7-(3-chloranylpyridin-2-yl)-4-[[4-(trifluoromethyl)phenyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide

Systemtic Name: N-[2-[[7-(3-chloranylpyridin-2-yl)-4-[[4-(trifluoromethyl)phenyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide Openeye Name: N-[2-[[7-(3-chloro-2-pyridyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide CAS Name: N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide IUPAC Name: N-[2-[[7-(3-chloropyridin-2-yl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide Traditional Name: N-[2-[[7-(3-chloro-2-pyridyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide Formula: C22H22ClF3N6O3S MolecularWeight: 542.96169

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCOC1=NC2=C(CCN(C2)C3=C(C=CC=N3)Cl)C(=N1)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)NCCOC1=NC2=C(CCN(C2)C3=C(C=CC=N3)Cl)C(=N1)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H22ClF3N6O3S/c1-36(33,34)28-10-12-35-21-30-18-13-32(20-17(23)3-2-9-27-20)11-8-16(18)19(31-21)29-15-6-4-14(5-7-15)22(24,25)26/h2-7,9,28H,8,10-13H2,1H3,(H,29,30,31)