N-[[(1R,2R,3S,4R)-4-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-[2,2,2-tris(fluoranyl)ethylamino]pyrimidin-4-yl]amino]-2,3-bis(oxidanyl)cyclopentyl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide

Systemtic Name: N-[[(1R,2R,3S,4R)-4-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-[2,2,2-tris(fluoranyl)ethylamino]pyrimidin-4-yl]amino]-2,3-bis(oxidanyl)cyclopentyl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide Openeye Name: N-[[(1R,2R,3S,4R)-4-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-2,3-dihydroxy-cyclopentyl]methyl]-1,1,1-trifluoro-methanesulfonamide CAS Name: N-[[(1R,2R,3S,4R)-4-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)-4-pyrimidinyl]amino]-2,3-dihydroxycyclopentyl]methyl]-1,1,1-trifluoromethanesulfonamide IUPAC Name: N-[[(1R,2R,3S,4R)-4-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-1,1,1-trifluoromethanesulfonamide Traditional Name: N-[[(1R,2R,3S,4R)-4-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-2,3-dihydroxy-cyclopentyl]methyl]-1,1,1-trifluoro-methanesulfonamide Formula: C21H22F6N6O4S2 MolecularWeight: 600.557599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NCC(F)(F)F)NC2CC(C(C2O)O)CNS(=O)(=O)C(F)(F)F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NC(=N1)NCC(F)(F)F)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CNS(=O)(=O)C(F)(F)F)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22F6N6O4S2/c1-9-14(18-32-11-4-2-3-5-13(11)38-18)17(33-19(30-9)28-8-20(22,23)24)31-12-6-10(15(34)16(12)35)7-29-39(36,37)21(25,26)27/h2-5,10,12,15-16,29,34-35H,6-8H2,1H3,(H2,28,30,31,33)/t10-,12-,15-,16+/m1/s1