ethyl 6-(4-bromophenyl)-4-methyl-2-oxidanylidene-3-(3-oxidanylpropyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-bromophenyl)-4-methyl-2-oxidanylidene-3-(3-oxidanylpropyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-bromophenyl)-3-(3-hydroxypropyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-bromophenyl)-3-(3-hydroxypropyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-bromophenyl)-3-(3-hydroxypropyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-bromophenyl)-3-(3-hydroxypropyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCO)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCO)C

InChI

InChI=1S/C17H21BrN2O4/c1-3-24-16(22)14-11(2)20(9-4-10-21)17(23)19-15(14)12-5-7-13(18)8-6-12/h5-8,15,21H,3-4,9-10H2,1-2H3,(H,19,23)