(2S)-2-[4-[[5-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]amino]phenyl]-3-oxidanyl-1-(4-oxidanylpiperidin-1-yl)propan-1-one

Systemtic Name: (2S)-2-[4-[[5-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]amino]phenyl]-3-oxidanyl-1-(4-oxidanylpiperidin-1-yl)propan-1-one Openeye Name: (2S)-2-[4-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenyl]-3-hydroxy-1-(4-hydroxy-1-piperidyl)propan-1-one CAS Name: (2S)-2-[4-[[5-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl]amino]phenyl]-3-hydroxy-1-(4-hydroxy-1-piperidinyl)-1-propanone IUPAC Name: (2S)-2-[4-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenyl]-3-hydroxy-1-(4-hydroxypiperidin-1-yl)propan-1-one Traditional Name: (2S)-2-[4-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenyl]-3-hydroxy-1-(4-hydroxypiperidino)propan-1-one Formula: C25H26F2N4O4 MolecularWeight: 484.495146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)C(CO)C2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)OC(F)F

Isomeric SMILES

C1CN(CCC1O)C(=O)[C@H](CO)C2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)OC(F)F

InChI

InChI=1S/C25H26F2N4O4/c26-24(27)35-21-7-3-16(4-8-21)18-13-28-25(29-14-18)30-19-5-1-17(2-6-19)22(15-32)23(34)31-11-9-20(33)10-12-31/h1-8,13-14,20,22,24,32-33H,9-12,15H2,(H,28,29,30)/t22-/m1/s1