N-[5-[[5-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]amino]-2-methyl-phenyl]-4-(2-hydroxyethyl)-3-oxidanylidene-piperazine-1-carboxamide

Systemtic Name: N-[5-[[5-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]amino]-2-methyl-phenyl]-4-(2-hydroxyethyl)-3-oxidanylidene-piperazine-1-carboxamide Openeye Name: N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methyl-phenyl]-4-(2-hydroxyethyl)-3-oxo-piperazine-1-carboxamide CAS Name: N-[5-[[5-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl]amino]-2-methylphenyl]-4-(2-hydroxyethyl)-3-oxo-1-piperazinecarboxamide IUPAC Name: N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methylphenyl]-4-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide Traditional Name: N-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-methyl-phenyl]-4-(2-hydroxyethyl)-3-keto-piperazine-1-carboxamide Formula: C25H26F2N6O4 MolecularWeight: 512.508546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C=N2)C3=CC=C(C=C3)OC(F)F)NC(=O)N4CCN(C(=O)C4)CCO

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C=N2)C3=CC=C(C=C3)OC(F)F)NC(=O)N4CCN(C(=O)C4)CCO

InChI

InChI=1S/C25H26F2N6O4/c1-16-2-5-19(12-21(16)31-25(36)33-9-8-32(10-11-34)22(35)15-33)30-24-28-13-18(14-29-24)17-3-6-20(7-4-17)37-23(26)27/h2-7,12-14,23,34H,8-11,15H2,1H3,(H,31,36)(H,28,29,30)