ethyl (4S)-6-[(5-bromanylpyridin-3-yl)carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(5-bromanylpyridin-3-yl)carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(5-bromopyridine-3-carbonyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(5-bromo-3-pyridinyl)-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(5-bromopyridine-3-carbonyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(5-bromonicotinoyl)oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18BrN3O5 MolecularWeight: 412.23522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC(=CN=C2)Br)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC(=CN=C2)Br)C(=O)OCC

InChI

InChI=1S/C16H18BrN3O5/c1-3-11-13(15(22)24-4-2)12(20-16(23)19-11)8-25-14(21)9-5-10(17)7-18-6-9/h5-7,11H,3-4,8H2,1-2H3,(H2,19,20,23)/t11-/m0/s1