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

Systemtic Name: pentyl (4S,5S)-4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: pentyl (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 pentyl ester IUPAC Name: pentyl (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 amyl ester Formula: C17H21BrN2O3 MolecularWeight: 381.26424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O3/c1-3-4-5-9-23-16(21)14-11(2)19-17(22)20-15(14)12-7-6-8-13(18)10-12/h6-8,10,14-15H,2-5,9H2,1H3,(H2,19,20,22)/t14-,15-/m1/s1