[2-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-1-ethyl-6-oxidanylidene-pyrimidin-5-yl] hydrogen carbonate

Systemtic Name: [2-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-1-ethyl-6-oxidanylidene-pyrimidin-5-yl] hydrogen carbonate Openeye Name: [2-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-1-ethyl-6-oxo-pyrimidin-5-yl] hydrogen carbonate CAS Name: carbonic acid [2-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-ethyl-6-oxo-5-pyrimidinyl] ester IUPAC Name: [2-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-ethyl-6-oxopyrimidin-5-yl] hydrogen carbonate Traditional Name: carbonic acid [2-[2-(2-benzoxy-5-bromo-phenyl)ethyl]-1-ethyl-6-keto-pyrimidin-5-yl] ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC=C(C1=O)OC(=O)O)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NC=C(C1=O)OC(=O)O)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21BrN2O5/c1-2-25-20(24-13-19(21(25)26)30-22(27)28)11-8-16-12-17(23)9-10-18(16)29-14-15-6-4-3-5-7-15/h3-7,9-10,12-13H,2,8,11,14H2,1H3,(H,27,28)