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

Systemtic Name: propyl (4S,5R)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C16H19BrN2O5 MolecularWeight: 399.23646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O5/c1-4-5-24-15(21)12-8(2)18-16(22)19-13(12)9-6-10(17)14(20)11(7-9)23-3/h6-7,12-13,20H,2,4-5H2,1,3H3,(H2,18,19,22)/t12-,13+/m0/s1