cyclohexylmethyl 4-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-6-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cyclohexylmethyl 4-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-6-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclohexylmethyl 4-(3-bromo-4,5-dihydroxy-phenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4,5-dihydroxyphenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 4-(3-bromo-4,5-dihydroxyphenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-4,5-dihydroxy-phenyl)-6-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclohexylmethyl ester Formula: C20H25BrN2O5 MolecularWeight: 453.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)O)C(=O)OCC3CCCCC3

Isomeric SMILES

CCC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)O)C(=O)OCC3CCCCC3

InChI

InChI=1S/C20H25BrN2O5/c1-2-14-16(19(26)28-10-11-6-4-3-5-7-11)17(23-20(27)22-14)12-8-13(21)18(25)15(24)9-12/h8-9,11,17,24-25H,2-7,10H2,1H3,(H2,22,23,27)