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

Systemtic Name: ethyl (4S,5R)-4-(2-bromanyl-4-butoxy-5-methoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(2-bromo-4-butoxy-5-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-bromo-4-butoxy-5-methoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(2-bromo-4-butoxy-5-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2-bromo-4-butoxy-5-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)Br)C2C(C(=C)NC(=O)N2)C(=O)OCC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)Br)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCC)OC

InChI

InChI=1S/C19H25BrN2O5/c1-5-7-8-27-15-10-13(20)12(9-14(15)25-4)17-16(18(23)26-6-2)11(3)21-19(24)22-17/h9-10,16-17H,3,5-8H2,1-2,4H3,(H2,21,22,24)/t16-,17+/m0/s1