propyl (4S,5S)-4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: propyl (4S,5S)-4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: propyl (4S,5S)-4-(3-bromophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(3-bromophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid propyl ester IUPAC Name: propyl (4S,5S)-4-(3-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(3-bromophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid propyl ester Formula: C15H17BrN2O3 MolecularWeight: 353.21108

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCOC(=O)[C@H]1[C@H](NC(=O)NC1=C)C2=CC(=CC=C2)Br

InChI

InChI=1S/C15H17BrN2O3/c1-3-7-21-14(19)12-9(2)17-15(20)18-13(12)10-5-4-6-11(16)8-10/h4-6,8,12-13H,2-3,7H2,1H3,(H2,17,18,20)/t12-,13-/m1/s1