1-[4-[[4-[[(E)-3-bromanylprop-2-enyl]-(2-fluoranyl-5-methyl-phenyl)amino]pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol

Systemtic Name: 1-[4-[[4-[[(E)-3-bromanylprop-2-enyl]-(2-fluoranyl-5-methyl-phenyl)amino]pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Openeye Name: 1-[4-[[4-(N-[(E)-3-bromoallyl]-2-fluoro-5-methyl-anilino)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[[4-(N-[(E)-3-bromoprop-2-enyl]-2-fluoro-5-methylanilino)-2-pyrimidinyl]amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[[4-(N-[(E)-3-bromoprop-2-enyl]-2-fluoro-5-methylanilino)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[[4-(N-[(E)-3-bromoallyl]-2-fluoro-5-methyl-anilino)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C25H29BrFN5O2 MolecularWeight: 530.432463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)N(CC=CBr)C2=NC(=NC=C2)NC3=CC=C(C=C3)OCC(CN(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)F)N(C/C=C/Br)C2=NC(=NC=C2)NC3=CC=C(C=C3)OCC(CN(C)C)O

InChI

InChI=1S/C25H29BrFN5O2/c1-18-5-10-22(27)23(15-18)32(14-4-12-26)24-11-13-28-25(30-24)29-19-6-8-21(9-7-19)34-17-20(33)16-31(2)3/h4-13,15,20,33H,14,16-17H2,1-3H3,(H,28,29,30)/b12-4+