tert-butyl 2-[4-[[2,6-bis(oxidanyl)phenyl]amino]-5-bromanyl-2-oxidanylidene-pyrimidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[[2,6-bis(oxidanyl)phenyl]amino]-5-bromanyl-2-oxidanylidene-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-bromo-4-(2,6-dihydroxyanilino)-2-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[5-bromo-4-(2,6-dihydroxyanilino)-2-oxo-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-bromo-4-(2,6-dihydroxyanilino)-2-oxopyrimidin-1-yl]acetate Traditional Name: 2-[5-bromo-4-(2,6-dihydroxyanilino)-2-keto-pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C16H18BrN3O5 MolecularWeight: 412.23522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=C(C(=NC1=O)NC2=C(C=CC=C2O)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=C(C(=NC1=O)NC2=C(C=CC=C2O)O)Br

InChI

InChI=1S/C16H18BrN3O5/c1-16(2,3)25-12(23)8-20-7-9(17)14(19-15(20)24)18-13-10(21)5-4-6-11(13)22/h4-7,21-22H,8H2,1-3H3,(H,18,19,24)