[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C15H14BrN3O5 MolecularWeight: 396.19276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)Br)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C15H14BrN3O5/c1-22-12-7-13(23-2)19-15(18-12)17-11(20)8-24-14(21)9-3-5-10(16)6-4-9/h3-7H,8H2,1-2H3,(H,17,18,19,20)