2-[2-bromanyl-6-ethoxy-4-[(4R)-6-methyl-2-oxidanylidene-5-(phenylcarbamoyl)-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoate

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-[(4R)-6-methyl-2-oxidanylidene-5-(phenylcarbamoyl)-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoate Openeye Name: 2-[2-bromo-6-ethoxy-4-[(4R)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate CAS Name: 2-[4-[(4R)-5-[anilino(oxo)methyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-bromo-6-ethoxyphenoxy]acetate IUPAC Name: 2-[2-bromo-6-ethoxy-4-[(4R)-6-methyl-2-oxo-5-(phenylcarbamoyl)-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate Traditional Name: 2-[2-bromo-6-ethoxy-4-[(4R)-2-keto-6-methyl-5-(phenylcarbamoyl)-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate Formula: C22H21BrN3O6- MolecularWeight: 503.32264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)NC3=CC=CC=C3)Br)OCC(=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2C(=C(NC(=O)N2)C)C(=O)NC3=CC=CC=C3)Br)OCC(=O)[O-]

InChI

InChI=1S/C22H22BrN3O6/c1-3-31-16-10-13(9-15(23)20(16)32-11-17(27)28)19-18(12(2)24-22(30)26-19)21(29)25-14-7-5-4-6-8-14/h4-10,19H,3,11H2,1-2H3,(H,25,29)(H,27,28)(H2,24,26,30)/p-1/t19-/m1/s1