ethyl (4S)-6-[[(4-bromophenyl)amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[(4-bromophenyl)amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-bromoanilino)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-bromoanilino)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-bromoanilino)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-bromoanilino)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H20BrN3O3 MolecularWeight: 382.2523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CNC2=CC=C(C=C2)Br)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CNC2=CC=C(C=C2)Br)C(=O)OCC

InChI

InChI=1S/C16H20BrN3O3/c1-3-12-14(15(21)23-4-2)13(20-16(22)19-12)9-18-11-7-5-10(17)6-8-11/h5-8,12,18H,3-4,9H2,1-2H3,(H2,19,20,22)/t12-/m0/s1