ethyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-1,3,6-trimethyl-2-oxidanylidene-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-1,3,6-trimethyl-2-oxidanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(5-bromo-2-methoxy-phenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(5-bromo-2-methoxyphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(5-bromo-2-methoxyphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(5-bromo-2-methoxy-phenyl)-2-keto-1,3,6-trimethyl-4H-pyrimidine-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)N(C1C2=C(C=CC(=C2)Br)OC)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N([C@H]1C2=C(C=CC(=C2)Br)OC)C)C)C

InChI

InChI=1S/C17H21BrN2O4/c1-6-24-16(21)14-10(2)19(3)17(22)20(4)15(14)12-9-11(18)7-8-13(12)23-5/h7-9,15H,6H2,1-5H3/t15-/m0/s1