tert-butyl 5-bromanyl-2,4-bis(oxidanylidene)-3-prop-2-enyl-pyrimidine-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-2,4-bis(oxidanylidene)-3-prop-2-enyl-pyrimidine-1-carboxylate Openeye Name: tert-butyl 3-allyl-5-bromo-2,4-dioxo-pyrimidine-1-carboxylate CAS Name: 5-bromo-2,4-dioxo-3-prop-2-enyl-1-pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-2,4-dioxo-3-prop-2-enylpyrimidine-1-carboxylate Traditional Name: 3-allyl-5-bromo-2,4-diketo-pyrimidine-1-carboxylic acid tert-butyl ester Formula: C12H15BrN2O4 MolecularWeight: 331.1625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C(=O)N(C1=O)CC=C)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C(=O)N(C1=O)CC=C)Br

InChI

InChI=1S/C12H15BrN2O4/c1-5-6-14-9(16)8(13)7-15(10(14)17)11(18)19-12(2,3)4/h5,7H,1,6H2,2-4H3