tert-butyl 4-[2-(2-acetamido-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoate

Systemtic Name: tert-butyl 4-[2-(2-acetamido-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoate Openeye Name: tert-butyl 4-[2-(2-acetamido-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoate CAS Name: 4-[2-(2-acetamido-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-acetamido-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(2-acetamido-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid tert-butyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O4/c1-13(27)24-21-25-18-17(19(28)26-21)11-15(12-23-18)6-5-14-7-9-16(10-8-14)20(29)30-22(2,3)4/h7-12H,1-4H3,(H2,23,24,25,26,27,28)