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

Systemtic Name: tert-butyl 4-[2-(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoate Openeye Name: tert-butyl 4-[2-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoate CAS Name: 4-[2-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(2-amino-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid tert-butyl ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(NC(=NC3=O)N)N=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(NC(=NC3=O)N)N=C2

InChI

InChI=1S/C20H18N4O3/c1-20(2,3)27-18(26)14-8-6-12(7-9-14)4-5-13-10-15-16(22-11-13)23-19(21)24-17(15)25/h6-11H,1-3H3,(H3,21,22,23,24,25)