dimethyl 2-[[4-[2-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-2-fluoranyl-phenyl]carbonylamino]pentanedioate

Systemtic Name: dimethyl 2-[[4-[2-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-2-fluoranyl-phenyl]carbonylamino]pentanedioate Openeye Name: dimethyl 2-[[4-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-2-fluoro-benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-2-fluorophenyl]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-2-fluorobenzoyl]amino]pentanedioate Traditional Name: 2-[[2-fluoro-4-[2-[4-keto-2-(pivaloylamino)-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]benzoyl]amino]glutaric acid dimethyl ester Formula: C28H28FN5O7 MolecularWeight: 565.549623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)N=CC(=C2)C#CC3=CC(=C(C=C3)C(=O)NC(CCC(=O)OC)C(=O)OC)F

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)N=CC(=C2)C#CC3=CC(=C(C=C3)C(=O)NC(CCC(=O)OC)C(=O)OC)F

InChI

InChI=1S/C28H28FN5O7/c1-28(2,3)26(39)34-27-32-22-18(24(37)33-27)12-16(14-30-22)7-6-15-8-9-17(19(29)13-15)23(36)31-20(25(38)41-5)10-11-21(35)40-4/h8-9,12-14,20H,10-11H2,1-5H3,(H,31,36)(H2,30,32,33,34,37,39)