N-[1-[4-[4-[[3-bromanyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]pyrido[3,4-d]pyrimidin-6-yl]-1,3-thiazol-2-yl]ethyl]-N-ethyl-ethanesulfonamide

Systemtic Name: N-[1-[4-[4-[[3-bromanyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]pyrido[3,4-d]pyrimidin-6-yl]-1,3-thiazol-2-yl]ethyl]-N-ethyl-ethanesulfonamide Openeye Name: N-[1-[4-[4-[3-bromo-4-[(3-fluorophenyl)methoxy]anilino]pyrido[3,4-d]pyrimidin-6-yl]thiazol-2-yl]ethyl]-N-ethyl-ethanesulfonamide CAS Name: N-[1-[4-[4-[3-bromo-4-[(3-fluorophenyl)methoxy]anilino]-6-pyrido[3,4-d]pyrimidinyl]-2-thiazolyl]ethyl]-N-ethylethanesulfonamide IUPAC Name: N-[1-[4-[4-[3-bromo-4-[(3-fluorophenyl)methoxy]anilino]pyrido[3,4-d]pyrimidin-6-yl]-1,3-thiazol-2-yl]ethyl]-N-ethylethanesulfonamide Traditional Name: N-[1-[4-[4-[3-bromo-4-(3-fluorobenzyl)oxy-anilino]pyrido[3,4-d]pyrimidin-6-yl]thiazol-2-yl]ethyl]-N-ethyl-ethanesulfonamide Formula: C29H28BrFN6O3S2 MolecularWeight: 671.603423

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)C1=NC(=CS1)C2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Br)S(=O)(=O)CC

Isomeric SMILES

CCN(C(C)C1=NC(=CS1)C2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Br)S(=O)(=O)CC

InChI

InChI=1S/C29H28BrFN6O3S2/c1-4-37(42(38,39)5-2)18(3)29-36-26(16-41-29)24-13-22-25(14-32-24)33-17-34-28(22)35-21-9-10-27(23(30)12-21)40-15-19-7-6-8-20(31)11-19/h6-14,16-18H,4-5,15H2,1-3H3,(H,33,34,35)