ethyl 4-[3-[(2-bromanylphenoxy)methyl]-2,5-dimethyl-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-[(2-bromanylphenoxy)methyl]-2,5-dimethyl-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[(2-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-[(2-bromophenoxy)methyl]-2,5-dimethylphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-bromophenoxy)methyl]-2,5-dimethylphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-[(2-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25BrN2O4 MolecularWeight: 473.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC(=C2C)COC3=CC=CC=C3Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC(=C2C)COC3=CC=CC=C3Br)C)C

InChI

InChI=1S/C23H25BrN2O4/c1-5-29-22(27)20-15(4)25-23(28)26-21(20)17-11-13(2)10-16(14(17)3)12-30-19-9-7-6-8-18(19)24/h6-11,21H,5,12H2,1-4H3,(H2,25,26,28)