ethyl 6-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-benzyl-6-(3,5-dibromo-4-hydroxy-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3,5-dibromo-4-hydroxyphenyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-6-(3,5-dibromo-4-hydroxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-6-(3,5-dibromo-4-hydroxy-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H20Br2N2O4 MolecularWeight: 524.2025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C(=C2)Br)O)Br)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C(=C2)Br)O)Br)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H20Br2N2O4/c1-3-29-20(27)17-12(2)25(11-13-7-5-4-6-8-13)21(28)24-18(17)14-9-15(22)19(26)16(23)10-14/h4-10,18,26H,3,11H2,1-2H3,(H,24,28)