butyl (4S,5R)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: butyl (4S,5R)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: butyl (4S,5R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid butyl ester IUPAC Name: butyl (4S,5R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid butyl ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O5/c1-4-5-6-25-16(22)13-9(2)19-17(23)20-14(13)10-7-11(18)15(21)12(8-10)24-3/h7-8,13-14,21H,2,4-6H2,1,3H3,(H2,19,20,23)/t13-,14+/m0/s1