N-[3-[[4-[3-[2-[2,4-bis(fluoranyl)phenyl]ethanoylamino]propylamino]-5-bromanyl-pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[3-[[4-[3-[2-[2,4-bis(fluoranyl)phenyl]ethanoylamino]propylamino]-5-bromanyl-pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Openeye Name: N-[3-[[5-bromo-4-[3-[[2-(2,4-difluorophenyl)acetyl]amino]propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide CAS Name: N-[3-[[5-bromo-4-[3-[[2-(2,4-difluorophenyl)-1-oxoethyl]amino]propylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[3-[[5-bromo-4-[3-[[2-(2,4-difluorophenyl)acetyl]amino]propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Traditional Name: N-[3-[[5-bromo-4-[3-[[2-(2,4-difluorophenyl)acetyl]amino]propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Formula: C26H28BrF2N7O2 MolecularWeight: 588.447026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)CC4=C(C=C(C=C4)F)F)Br

Isomeric SMILES

C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)CC4=C(C=C(C=C4)F)F)Br

InChI

InChI=1S/C26H28BrF2N7O2/c27-21-16-32-25(33-19-5-3-6-20(15-19)34-26(38)36-11-1-2-12-36)35-24(21)31-10-4-9-30-23(37)13-17-7-8-18(28)14-22(17)29/h3,5-8,14-16H,1-2,4,9-13H2,(H,30,37)(H,34,38)(H2,31,32,33,35)