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

Systemtic Name: [(1S,3R)-3-methylcyclohexyl] (4R,5R)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: [(1S,3R)-3-methylcyclohexyl] (4R,5R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid [(1S,3R)-3-methylcyclohexyl] ester IUPAC Name: [(1S,3R)-3-methylcyclohexyl] (4R,5R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid [(1S,3R)-3-methylcyclohexyl] ester Formula: C20H25BrN2O5 MolecularWeight: 453.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)C2C(NC(=O)NC2=C)C3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)OC(=O)[C@@H]2[C@@H](NC(=O)NC2=C)C3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C20H25BrN2O5/c1-10-5-4-6-13(7-10)28-19(25)16-11(2)22-20(26)23-17(16)12-8-14(21)18(24)15(9-12)27-3/h8-10,13,16-17,24H,2,4-7H2,1,3H3,(H2,22,23,26)/t10-,13+,16+,17+/m1/s1